REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3g3j_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNRSLIVTTI LEEPYVLFKK SDKPLYGNDR FEGYCIDLLR ELSTHLGFTY DATA SEQUENCE EIRLVEDGKY GAQDDVNGQW NGMVRELIDH KADLAVAPLA ITYVREEVID DATA SEQUENCE FSKPFMTLGI SILYRKGTPI DSADDLAKQT KIEYGAVEDG ATMTFFKRSK DATA SEQUENCE ISTYDKMWAF MSSRRQSVLV KSNEEGIQRV LTSDYAFLME STTIEFVTQR DATA SEQUENCE NcNLTQIGGL IDSKGYGVGT PMGSPYRDKI TLAILKLQEE GKLHMMKEKW DATA SEQUENCE WRXXXc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 4.487 4.470 0.028 0.000 0.327 2 S C 0.000 174.621 174.600 0.035 0.000 1.055 2 S CA 0.000 58.215 58.200 0.026 0.000 1.107 2 S CB 0.000 63.212 63.200 0.020 0.000 0.593 3 N N 2.659 121.389 118.700 0.049 0.000 2.508 3 N HA 0.019 4.791 4.740 0.053 0.000 0.264 3 N C 0.261 175.806 175.510 0.059 0.000 1.216 3 N CA -0.372 52.715 53.050 0.061 0.000 0.943 3 N CB 0.441 38.982 38.487 0.090 0.000 1.113 3 N HN 0.091 8.503 8.380 0.054 0.000 0.447 4 R N 1.951 122.483 120.500 0.053 0.000 2.537 4 R HA -0.186 4.175 4.340 0.035 0.000 0.281 4 R C -0.968 175.363 176.300 0.053 0.000 0.988 4 R CA 0.548 56.673 56.100 0.043 0.000 1.077 4 R CB 0.557 30.878 30.300 0.035 0.000 0.932 4 R HN 0.183 8.484 8.270 0.052 0.000 0.409 5 S N 2.069 117.796 115.700 0.045 0.000 2.549 5 S HA -0.143 4.518 4.470 0.099 -0.131 0.283 5 S C -0.027 174.591 174.600 0.029 0.000 1.320 5 S CA -0.025 58.212 58.200 0.061 0.000 1.058 5 S CB 0.456 63.682 63.200 0.043 0.000 0.882 5 S HN -0.103 8.228 8.310 0.035 0.000 0.498 6 L N 3.902 125.132 121.223 0.012 0.000 2.416 6 L HA -0.112 4.284 4.340 -0.145 -0.143 0.272 6 L C -0.139 176.699 176.870 -0.054 0.000 1.161 6 L CA 0.027 54.791 54.840 -0.126 0.000 0.845 6 L CB 0.383 42.192 42.059 -0.417 0.000 1.119 6 L HN 0.174 8.447 8.230 0.072 0.000 0.464 7 I N 3.123 123.638 120.570 -0.092 0.000 2.352 7 I HA 0.142 4.454 4.170 -0.021 -0.155 0.290 7 I C -0.357 175.689 176.117 -0.118 0.000 1.036 7 I CA -2.278 58.983 61.300 -0.065 0.000 1.336 7 I CB -1.259 36.707 38.000 -0.057 0.000 1.407 7 I HN 0.376 8.866 8.210 -0.116 -0.350 0.497 8 V N 9.060 128.918 119.914 -0.092 0.000 2.334 8 V HA 0.414 4.621 4.120 -0.186 -0.200 0.281 8 V C -0.821 175.178 176.094 -0.158 0.000 1.016 8 V CA -1.490 60.719 62.300 -0.152 0.000 0.832 8 V CB 1.401 33.126 31.823 -0.165 0.000 0.999 8 V HN 0.567 8.731 8.190 -0.043 0.000 0.439 9 T N 8.940 123.397 114.554 -0.162 0.000 2.897 9 T HA 0.687 5.193 4.350 -0.158 -0.251 0.294 9 T C -0.670 173.912 174.700 -0.198 0.000 1.004 9 T CA -0.462 61.540 62.100 -0.163 0.000 1.106 9 T CB 0.831 69.617 68.868 -0.137 0.000 0.949 9 T HN 0.231 8.373 8.240 -0.164 0.000 0.520 10 T N 4.705 119.124 114.554 -0.226 0.000 2.665 10 T HA 0.361 4.571 4.350 -0.234 0.000 0.303 10 T C -2.659 171.880 174.700 -0.268 0.000 1.334 10 T CA -2.056 59.889 62.100 -0.258 0.000 1.011 10 T CB 1.768 70.448 68.868 -0.314 0.000 1.573 10 T HN -0.359 7.750 8.240 -0.218 0.000 0.492 11 I N -0.307 120.093 120.570 -0.284 0.000 2.827 11 I HA 0.227 4.255 4.170 -0.238 0.000 0.298 11 I C -2.587 173.403 176.117 -0.211 0.000 1.235 11 I CA -1.533 59.599 61.300 -0.279 0.000 1.021 11 I CB 4.016 41.732 38.000 -0.472 0.000 1.259 11 I HN 0.152 8.199 8.210 -0.272 0.000 0.427 12 L N 4.611 125.737 121.223 -0.162 0.000 2.418 12 L HA -0.062 4.312 4.340 -0.152 -0.125 0.274 12 L C -0.940 175.908 176.870 -0.037 0.000 1.135 12 L CA 0.237 55.003 54.840 -0.123 0.000 0.870 12 L CB 0.107 42.096 42.059 -0.117 0.000 1.154 12 L HN 0.189 8.330 8.230 -0.147 0.000 0.462 13 E N 4.469 124.665 120.200 -0.007 0.000 2.428 13 E HA 0.131 4.539 4.350 0.097 0.000 0.307 13 E C -2.030 174.601 176.600 0.052 0.000 0.902 13 E CA -0.771 55.685 56.400 0.093 0.000 0.799 13 E CB 3.245 33.056 29.700 0.185 0.000 1.351 13 E HN 0.309 8.645 8.360 -0.040 0.000 0.392 14 E N 6.093 126.251 120.200 -0.069 0.000 2.360 14 E HA 0.047 4.177 4.350 -0.366 0.000 0.269 14 E C -1.071 175.076 176.600 -0.755 0.000 1.022 14 E CA -1.631 54.559 56.400 -0.349 0.000 0.887 14 E CB 0.269 29.815 29.700 -0.258 0.000 0.990 14 E HN 0.152 8.498 8.360 -0.022 0.000 0.426 15 P HA 0.327 4.290 4.420 -0.761 0.000 0.266 15 P C -0.565 176.216 177.300 -0.865 0.000 1.561 15 P CA -0.052 62.393 63.100 -1.092 0.000 1.089 15 P CB 0.399 31.261 31.700 -1.396 0.000 1.534 16 Y N 0.647 120.688 120.300 -0.433 0.000 2.206 16 Y HA -0.102 4.340 4.550 -0.179 0.000 0.292 16 Y C 0.205 175.914 175.900 -0.319 0.000 1.123 16 Y CA 4.049 61.995 58.100 -0.257 0.000 1.142 16 Y CB 0.702 39.091 38.460 -0.120 0.000 1.006 16 Y HN -0.384 7.516 8.280 -0.507 0.076 0.518 17 V N -3.645 116.196 119.914 -0.121 0.000 2.655 17 V HA 0.401 4.548 4.120 -0.196 -0.144 0.301 17 V C -1.897 174.109 176.094 -0.147 0.000 1.082 17 V CA -0.658 61.547 62.300 -0.159 0.000 0.899 17 V CB 2.357 34.088 31.823 -0.154 0.000 1.014 17 V HN -0.365 7.777 8.190 -0.079 0.000 0.429 18 L N 3.479 124.628 121.223 -0.122 0.000 2.415 18 L HA 0.448 4.715 4.340 -0.122 0.000 0.256 18 L C -1.458 175.390 176.870 -0.036 0.000 1.010 18 L CA -1.263 53.526 54.840 -0.086 0.000 0.826 18 L CB 3.868 45.909 42.059 -0.031 0.000 1.405 18 L HN 0.492 8.657 8.230 -0.109 0.000 0.410 19 F N 0.390 120.355 119.950 0.025 0.000 2.467 19 F HA 0.112 4.706 4.527 -0.173 -0.171 0.362 19 F C 0.841 176.615 175.800 -0.042 0.000 1.090 19 F CA -0.067 57.882 58.000 -0.084 0.000 1.202 19 F CB 0.645 39.574 39.000 -0.119 0.000 1.113 19 F HN 0.144 8.447 8.300 0.004 0.000 0.541 20 K N 4.007 124.504 120.400 0.162 0.000 2.485 20 K HA -0.229 4.317 4.320 0.126 -0.151 0.277 20 K C 0.295 176.935 176.600 0.066 0.000 0.990 20 K CA 0.802 57.153 56.287 0.107 0.000 0.994 20 K CB 0.426 32.971 32.500 0.074 0.000 0.906 20 K HN -0.230 8.103 8.250 0.139 0.000 0.488 21 K N 3.373 123.810 120.400 0.062 0.000 2.339 21 K HA 0.022 4.349 4.320 0.013 0.000 0.286 21 K C -0.452 176.152 176.600 0.006 0.000 1.050 21 K CA 0.697 57.001 56.287 0.028 0.000 0.956 21 K CB 0.462 32.986 32.500 0.040 0.000 0.990 21 K HN 0.323 8.621 8.250 0.080 0.000 0.475 22 S N 2.548 118.234 115.700 -0.023 0.000 2.547 22 S HA 0.168 4.629 4.470 -0.015 0.000 0.270 22 S C -0.606 173.967 174.600 -0.045 0.000 1.150 22 S CA -1.253 56.929 58.200 -0.031 0.000 0.850 22 S CB 1.234 64.407 63.200 -0.044 0.000 1.118 22 S HN 0.264 8.552 8.310 -0.037 0.000 0.461 23 D N 1.469 121.849 120.400 -0.033 0.000 2.149 23 D HA 0.058 4.673 4.640 -0.041 0.000 0.206 23 D C 0.279 176.552 176.300 -0.046 0.000 0.967 23 D CA 1.306 55.285 54.000 -0.036 0.000 0.848 23 D CB 0.386 41.174 40.800 -0.021 0.000 0.998 23 D HN 0.190 8.546 8.370 -0.023 0.000 0.474 24 K N 1.581 121.959 120.400 -0.036 0.000 2.326 24 K HA 0.229 4.533 4.320 -0.027 0.000 0.275 24 K C -2.318 174.231 176.600 -0.086 0.000 1.018 24 K CA -2.286 53.980 56.287 -0.034 0.000 0.962 24 K CB -0.185 32.313 32.500 -0.002 0.000 0.953 24 K HN -0.191 8.043 8.250 -0.027 0.000 0.475 25 P HA -0.058 4.184 4.420 -0.297 0.000 0.268 25 P C -1.383 175.695 177.300 -0.369 0.000 1.205 25 P CA -0.058 62.871 63.100 -0.285 0.000 0.771 25 P CB 0.474 31.986 31.700 -0.314 0.000 0.858 26 L N 1.194 122.138 121.223 -0.465 0.000 2.344 26 L HA 0.206 4.427 4.340 -0.199 0.000 0.272 26 L C -0.833 175.654 176.870 -0.638 0.000 1.035 26 L CA -1.208 53.408 54.840 -0.373 0.000 0.807 26 L CB 1.831 43.766 42.059 -0.206 0.000 1.237 26 L HN -0.184 7.777 8.230 -0.449 0.000 0.442 27 Y N -0.385 119.889 120.300 -0.044 0.000 2.499 27 Y HA 0.115 4.646 4.550 -0.032 0.000 0.347 27 Y C 0.581 176.488 175.900 0.012 0.000 0.987 27 Y CA -0.638 57.448 58.100 -0.022 0.000 1.044 27 Y CB 3.022 41.474 38.460 -0.013 0.000 1.245 27 Y HN 0.165 8.500 8.280 0.091 0.000 0.461 28 G N 2.083 110.998 108.800 0.192 0.000 2.582 28 G HA2 -0.517 3.562 3.960 0.199 0.000 0.288 28 G HA3 -0.517 3.541 3.960 0.164 0.000 0.288 28 G C 0.885 175.927 174.900 0.237 0.000 1.247 28 G CA 0.916 46.130 45.100 0.190 0.000 0.972 28 G HN 0.209 8.614 8.290 0.192 0.000 0.557 29 N N 3.065 121.901 118.700 0.227 0.000 2.364 29 N HA -0.233 4.815 4.740 0.513 0.000 0.183 29 N C 1.659 177.345 175.510 0.293 0.000 1.022 29 N CA 2.215 55.460 53.050 0.326 0.000 0.883 29 N CB -0.528 38.072 38.487 0.189 0.000 0.965 29 N HN 0.299 8.773 8.380 0.157 0.000 0.438 30 D N 0.798 121.295 120.400 0.162 0.000 2.351 30 D HA -0.194 4.521 4.640 0.124 0.000 0.216 30 D C 1.384 177.714 176.300 0.050 0.000 0.968 30 D CA 1.871 55.936 54.000 0.109 0.000 0.899 30 D CB -0.206 40.646 40.800 0.086 0.000 0.907 30 D HN -0.545 7.875 8.370 0.142 0.035 0.514 31 R N -2.347 118.124 120.500 -0.049 0.000 2.189 31 R HA -0.253 3.983 4.340 -0.174 0.000 0.223 31 R C -0.039 176.122 176.300 -0.232 0.000 1.092 31 R CA 2.546 58.494 56.100 -0.253 0.000 0.989 31 R CB 0.388 30.366 30.300 -0.535 0.000 0.876 31 R HN -0.666 7.544 8.270 -0.019 0.049 0.457 32 F N -4.051 115.982 119.950 0.137 0.000 2.458 32 F HA 0.721 5.458 4.527 0.049 -0.180 0.330 32 F C -1.117 174.705 175.800 0.036 0.000 1.082 32 F CA -1.504 56.530 58.000 0.056 0.000 0.995 32 F CB 2.911 41.905 39.000 -0.010 0.000 1.170 32 F HN -0.778 7.598 8.300 0.203 0.046 0.478 33 E N -2.666 117.636 120.200 0.170 0.000 2.449 33 E HA 0.351 4.757 4.350 0.093 0.000 0.278 33 E C -2.079 174.364 176.600 -0.262 0.000 0.992 33 E CA -1.838 54.601 56.400 0.064 0.000 0.807 33 E CB 3.694 33.524 29.700 0.217 0.000 1.350 33 E HN 0.398 8.843 8.360 0.143 0.000 0.462 34 G N -2.721 105.636 108.800 -0.738 0.000 2.361 34 G HA2 -0.191 1.917 3.960 -3.086 0.000 0.331 34 G HA3 -0.191 3.288 3.960 -1.026 -0.135 0.331 34 G C -1.426 172.637 174.900 -1.394 0.000 1.324 34 G CA -0.384 43.725 45.100 -1.651 0.000 0.984 34 G HN -0.237 7.754 8.290 -0.499 0.000 0.586 35 Y N 0.811 120.213 120.300 -1.496 0.000 2.114 35 Y HA -0.332 3.921 4.550 -0.495 0.000 0.282 35 Y C 1.196 176.936 175.900 -0.266 0.000 1.165 35 Y CA 4.121 61.864 58.100 -0.596 0.000 1.148 35 Y CB 0.686 39.106 38.460 -0.066 0.000 0.972 35 Y HN -0.253 7.276 8.280 -1.252 0.000 0.504 36 C N -3.590 115.710 119.300 0.000 0.000 2.432 36 C HA -0.421 3.957 4.460 -0.136 0.000 0.280 36 C C 1.468 176.326 174.990 -0.220 0.000 1.353 36 C CA 4.398 63.361 59.018 -0.091 0.000 1.766 36 C CB -0.447 27.286 27.740 -0.012 0.000 1.924 36 C HN -0.273 7.876 8.230 0.044 0.107 0.509 37 I N 0.763 121.201 120.570 -0.220 0.000 2.252 37 I HA -0.379 3.691 4.170 -0.167 0.000 0.245 37 I C 1.771 177.815 176.117 -0.122 0.000 1.102 37 I CA 2.302 63.508 61.300 -0.156 0.000 1.385 37 I CB -1.027 36.922 38.000 -0.083 0.000 1.064 37 I HN -0.798 7.246 8.210 -0.254 0.013 0.414 38 D N -0.043 120.284 120.400 -0.121 0.000 2.117 38 D HA -0.293 4.348 4.640 0.003 0.000 0.197 38 D C 2.454 178.656 176.300 -0.164 0.000 0.987 38 D CA 3.449 57.410 54.000 -0.065 0.000 0.829 38 D CB -0.320 40.504 40.800 0.040 0.000 0.961 38 D HN -0.242 8.032 8.370 -0.160 0.000 0.460 39 L N 0.529 121.565 121.223 -0.311 0.000 2.012 39 L HA -0.263 3.903 4.340 -0.290 0.000 0.210 39 L C 1.498 178.231 176.870 -0.228 0.000 1.073 39 L CA 2.855 57.499 54.840 -0.326 0.000 0.748 39 L CB -0.229 41.531 42.059 -0.498 0.000 0.891 39 L HN -0.299 7.697 8.230 -0.390 0.000 0.431 40 L N -1.514 119.560 121.223 -0.249 0.000 2.042 40 L HA -0.417 3.782 4.340 -0.236 0.000 0.210 40 L C 1.601 178.306 176.870 -0.274 0.000 1.076 40 L CA 3.243 57.911 54.840 -0.286 0.000 0.749 40 L CB -0.666 41.152 42.059 -0.402 0.000 0.893 40 L HN -0.238 7.834 8.230 -0.264 0.000 0.432 41 R N -1.256 119.149 120.500 -0.159 0.000 2.081 41 R HA -0.351 3.993 4.340 0.007 0.000 0.235 41 R C 2.438 178.702 176.300 -0.059 0.000 1.131 41 R CA 3.304 59.379 56.100 -0.042 0.000 0.960 41 R CB -0.281 30.043 30.300 0.039 0.000 0.856 41 R HN -0.351 7.839 8.270 -0.134 0.000 0.436 42 E N -0.386 119.791 120.200 -0.038 0.000 2.077 42 E HA -0.247 4.157 4.350 0.090 0.000 0.193 42 E C 2.809 179.473 176.600 0.107 0.000 0.989 42 E CA 2.714 59.153 56.400 0.066 0.000 0.800 42 E CB -0.375 29.362 29.700 0.061 0.000 0.746 42 E HN -0.470 7.855 8.360 -0.058 0.000 0.452 43 L N -0.679 120.538 121.223 -0.010 0.000 2.046 43 L HA -0.381 4.015 4.340 0.094 0.000 0.208 43 L C 2.243 178.969 176.870 -0.241 0.000 1.077 43 L CA 3.327 58.176 54.840 0.015 0.000 0.747 43 L CB -0.538 41.582 42.059 0.103 0.000 0.896 43 L HN 0.148 8.344 8.230 -0.056 0.000 0.432 44 S N -1.276 114.069 115.700 -0.592 0.000 2.359 44 S HA -0.345 2.632 4.470 -2.488 0.000 0.224 44 S C 2.238 176.512 174.600 -0.544 0.000 1.035 44 S CA 3.583 61.112 58.200 -1.117 0.000 1.018 44 S CB -0.530 62.392 63.200 -0.463 0.000 0.876 44 S HN -0.019 8.041 8.310 -0.417 0.000 0.448 45 T N 3.270 117.657 114.554 -0.279 0.000 2.821 45 T HA -0.256 3.968 4.350 -0.210 0.000 0.267 45 T C 1.337 175.878 174.700 -0.265 0.000 1.046 45 T CA 4.488 66.443 62.100 -0.242 0.000 1.139 45 T CB 0.157 68.871 68.868 -0.256 0.000 0.871 45 T HN -0.513 7.595 8.240 -0.220 0.000 0.454 46 H N -0.853 118.163 119.070 -0.091 0.000 2.395 46 H HA -0.089 4.455 4.556 -0.020 0.000 0.299 46 H C 1.125 176.456 175.328 0.005 0.000 1.070 46 H CA 2.943 58.974 56.048 -0.030 0.000 1.356 46 H CB 0.508 30.265 29.762 -0.008 0.000 1.401 46 H HN -0.388 7.870 8.280 -0.037 0.000 0.524 47 L N -5.124 116.164 121.223 0.108 0.000 2.640 47 L HA 0.165 4.619 4.340 0.191 0.000 0.230 47 L C 0.020 177.003 176.870 0.188 0.000 1.123 47 L CA -0.128 54.833 54.840 0.202 0.000 0.900 47 L CB 0.847 43.150 42.059 0.406 0.000 1.146 47 L HN -0.424 7.821 8.230 0.025 0.000 0.484 48 G N -1.085 107.725 108.800 0.017 0.000 2.324 48 G HA2 -0.320 3.653 3.960 -0.038 0.000 0.292 48 G HA3 -0.320 3.681 3.960 0.068 0.000 0.292 48 G C -0.709 174.282 174.900 0.152 0.000 1.079 48 G CA 0.421 45.541 45.100 0.033 0.000 1.026 48 G HN -0.431 7.807 8.290 -0.087 0.000 0.506 49 F N -4.061 115.954 119.950 0.108 0.000 2.603 49 F HA 0.588 5.173 4.527 0.096 0.000 0.317 49 F C -2.223 173.649 175.800 0.120 0.000 1.066 49 F CA -3.368 54.697 58.000 0.108 0.000 0.941 49 F CB 1.985 41.044 39.000 0.099 0.000 1.291 49 F HN -0.723 7.353 8.300 -0.374 0.000 0.472 50 T N -3.244 111.517 114.554 0.345 0.000 2.936 50 T HA 0.270 4.689 4.350 0.116 0.000 0.282 50 T C -1.366 173.567 174.700 0.388 0.000 1.003 50 T CA -2.137 60.085 62.100 0.203 0.000 1.005 50 T CB 2.245 71.129 68.868 0.026 0.000 1.097 50 T HN -0.025 8.405 8.240 0.316 0.000 0.532 51 Y N -4.996 115.400 120.300 0.159 0.000 2.656 51 Y HA 0.800 5.651 4.550 0.075 -0.257 0.334 51 Y C -2.270 173.663 175.900 0.056 0.000 1.179 51 Y CA -1.849 56.320 58.100 0.115 0.000 1.050 51 Y CB 3.164 41.735 38.460 0.184 0.000 1.308 51 Y HN -0.139 7.941 8.280 -0.334 0.000 0.456 52 E N 1.181 121.501 120.200 0.200 0.000 2.244 52 E HA 0.393 4.956 4.350 0.107 -0.149 0.260 52 E C -1.145 175.536 176.600 0.135 0.000 0.884 52 E CA -1.857 54.620 56.400 0.128 0.000 0.777 52 E CB 4.126 33.866 29.700 0.066 0.000 1.197 52 E HN 0.344 8.825 8.360 0.202 0.000 0.416 53 I N 7.337 127.990 120.570 0.138 0.000 2.416 53 I HA 0.128 4.420 4.170 -0.085 -0.174 0.288 53 I C -0.106 175.977 176.117 -0.055 0.000 1.051 53 I CA 0.586 61.856 61.300 -0.050 0.000 1.375 53 I CB 0.240 38.079 38.000 -0.268 0.000 1.407 53 I HN 0.198 8.846 8.210 0.187 -0.325 0.516 54 R N 7.309 127.745 120.500 -0.107 0.000 2.502 54 R HA 0.361 4.721 4.340 0.035 0.000 0.300 54 R C -1.480 174.762 176.300 -0.097 0.000 0.984 54 R CA -1.883 54.194 56.100 -0.039 0.000 0.882 54 R CB 2.926 33.218 30.300 -0.013 0.000 1.180 54 R HN 0.482 8.665 8.270 -0.144 0.000 0.444 55 L N 4.149 125.347 121.223 -0.043 0.000 2.455 55 L HA -0.030 4.391 4.340 -0.146 -0.169 0.272 55 L C 0.665 177.502 176.870 -0.054 0.000 1.174 55 L CA -0.102 54.697 54.840 -0.068 0.000 0.869 55 L CB 0.518 42.590 42.059 0.021 0.000 1.130 55 L HN 0.403 8.662 8.230 0.048 0.000 0.474 56 V N 3.394 123.250 119.914 -0.096 0.000 2.625 56 V HA -0.413 3.935 4.120 -0.069 -0.269 0.305 56 V C 0.564 176.636 176.094 -0.036 0.000 1.055 56 V CA 1.347 63.600 62.300 -0.078 0.000 1.209 56 V CB 1.242 32.996 31.823 -0.116 0.000 0.877 56 V HN 0.223 8.332 8.190 -0.134 0.000 0.489 57 E N 9.607 129.797 120.200 -0.016 0.000 2.106 57 E HA -0.319 4.039 4.350 0.013 0.000 0.192 57 E C 0.340 176.946 176.600 0.010 0.000 0.984 57 E CA 2.584 58.987 56.400 0.005 0.000 0.806 57 E CB 0.224 29.930 29.700 0.010 0.000 0.750 57 E HN 0.070 8.716 8.360 -0.018 -0.297 0.458 58 D N -4.850 115.554 120.400 0.008 0.000 2.340 58 D HA -0.035 4.619 4.640 0.023 0.000 0.220 58 D C 0.840 177.149 176.300 0.015 0.000 1.039 58 D CA -0.806 53.206 54.000 0.019 0.000 0.866 58 D CB -0.889 39.929 40.800 0.030 0.000 0.913 58 D HN -0.205 8.166 8.370 0.003 0.000 0.523 59 G N -0.501 108.293 108.800 -0.009 0.000 2.168 59 G HA2 -0.443 3.489 3.960 -0.048 0.000 0.257 59 G HA3 -0.443 3.519 3.960 0.004 0.000 0.257 59 G C -0.516 174.368 174.900 -0.027 0.000 0.997 59 G CA 0.827 45.915 45.100 -0.021 0.000 0.708 59 G HN -0.445 7.783 8.290 -0.021 0.050 0.520 60 K N -1.654 118.731 120.400 -0.026 0.000 2.267 60 K HA 0.350 4.722 4.320 0.085 0.000 0.246 60 K C -0.644 175.936 176.600 -0.034 0.000 0.954 60 K CA -2.206 54.103 56.287 0.036 0.000 0.824 60 K CB 2.493 35.053 32.500 0.099 0.000 1.167 60 K HN -0.764 7.676 8.250 -0.027 -0.206 0.431 61 Y N -0.131 120.209 120.300 0.067 0.000 2.130 61 Y HA -0.206 4.366 4.550 0.037 0.000 0.287 61 Y C 0.229 176.197 175.900 0.113 0.000 1.124 61 Y CA 2.885 61.025 58.100 0.067 0.000 1.118 61 Y CB 1.070 39.572 38.460 0.070 0.000 0.994 61 Y HN 0.396 8.916 8.280 0.400 0.000 0.497 62 G N -6.821 102.181 108.800 0.336 0.000 2.350 62 G HA2 -0.140 4.302 3.960 0.308 0.000 0.274 62 G HA3 -0.140 4.083 3.960 0.385 -0.032 0.274 62 G C -3.089 172.072 174.900 0.436 0.000 1.621 62 G CA -0.089 45.228 45.100 0.363 0.000 0.935 62 G HN -0.557 7.944 8.290 0.352 0.000 0.694 63 A N 2.958 125.942 122.820 0.274 0.000 2.594 63 A HA 0.488 4.748 4.320 -0.099 0.000 0.291 63 A C -2.647 174.609 177.584 -0.546 0.000 1.105 63 A CA -0.934 51.049 52.037 -0.090 0.000 0.694 63 A CB 3.918 22.893 19.000 -0.042 0.000 1.291 63 A HN 0.339 8.921 8.150 0.228 -0.296 0.410 64 Q N 0.198 119.355 119.800 -1.072 0.000 2.241 64 Q HA 0.081 3.940 4.340 -1.088 -0.172 0.254 64 Q C -0.847 174.873 176.000 -0.467 0.000 0.917 64 Q CA -1.159 54.002 55.803 -1.071 0.000 0.919 64 Q CB 2.053 29.968 28.738 -1.373 0.000 1.237 64 Q HN 0.318 7.978 8.270 -1.016 0.000 0.434 65 D N 5.779 125.994 120.400 -0.308 0.000 2.348 65 D HA -0.053 4.514 4.640 -0.122 0.000 0.253 65 D C 0.327 176.548 176.300 -0.131 0.000 1.161 65 D CA 0.324 54.232 54.000 -0.153 0.000 0.876 65 D CB 2.048 42.794 40.800 -0.089 0.000 1.160 65 D HN -0.090 8.093 8.370 -0.312 0.000 0.459 66 D N 5.121 125.471 120.400 -0.084 0.000 2.269 66 D HA -0.183 4.407 4.640 -0.084 0.000 0.208 66 D C 0.560 176.839 176.300 -0.035 0.000 0.963 66 D CA 2.106 56.069 54.000 -0.060 0.000 0.864 66 D CB -0.271 40.512 40.800 -0.028 0.000 0.936 66 D HN 0.122 8.456 8.370 -0.061 0.000 0.505 67 V N -0.231 119.668 119.914 -0.026 0.000 2.379 67 V HA -0.187 3.928 4.120 -0.009 0.000 0.243 67 V C 0.943 177.027 176.094 -0.016 0.000 1.035 67 V CA 1.835 64.127 62.300 -0.013 0.000 1.035 67 V CB 0.814 32.635 31.823 -0.004 0.000 0.673 67 V HN -0.397 7.954 8.190 -0.027 -0.177 0.457 68 N N -1.876 116.811 118.700 -0.022 0.000 2.220 68 N HA 0.030 4.766 4.740 -0.007 0.000 0.195 68 N C 0.774 176.273 175.510 -0.019 0.000 1.123 68 N CA -0.322 52.720 53.050 -0.014 0.000 0.874 68 N CB 0.890 39.373 38.487 -0.005 0.000 0.995 68 N HN -0.334 8.294 8.380 -0.029 -0.265 0.498 69 G N -0.393 108.378 108.800 -0.049 0.000 2.162 69 G HA2 -0.483 3.500 3.960 -0.103 0.000 0.260 69 G HA3 -0.483 3.462 3.960 -0.025 0.000 0.260 69 G C -0.617 174.245 174.900 -0.063 0.000 0.976 69 G CA 0.590 45.653 45.100 -0.063 0.000 0.655 69 G HN -0.306 7.945 8.290 -0.065 0.000 0.533 70 Q N -0.765 119.002 119.800 -0.055 0.000 2.235 70 Q HA 0.220 4.618 4.340 0.097 0.000 0.250 70 Q C -0.432 175.535 176.000 -0.055 0.000 0.909 70 Q CA -1.856 53.958 55.803 0.019 0.000 0.910 70 Q CB 1.052 29.814 28.738 0.040 0.000 1.223 70 Q HN -0.112 8.424 8.270 -0.058 -0.300 0.432 71 W N 1.542 122.850 121.300 0.014 0.000 2.183 71 W HA 0.240 5.105 4.660 0.024 -0.191 0.348 71 W C 0.088 176.619 176.519 0.020 0.000 1.257 71 W CA -0.035 57.321 57.345 0.018 0.000 1.324 71 W CB 1.579 31.046 29.460 0.011 0.000 1.144 71 W HN 0.378 8.816 8.180 0.429 0.000 0.622 72 N N -2.685 116.193 118.700 0.297 0.000 3.091 72 N HA 0.559 5.394 4.740 0.159 0.000 0.329 72 N C 0.144 175.770 175.510 0.193 0.000 1.430 72 N CA -1.758 51.404 53.050 0.187 0.000 0.755 72 N CB 2.269 40.824 38.487 0.113 0.000 1.626 72 N HN -0.155 8.429 8.380 0.341 0.000 0.614 73 G N -2.241 106.629 108.800 0.115 0.000 2.601 73 G HA2 -0.445 3.819 3.960 0.040 0.000 0.252 73 G HA3 -0.445 3.741 3.960 0.107 -0.163 0.252 73 G C 0.385 175.305 174.900 0.033 0.000 1.294 73 G CA 0.536 45.682 45.100 0.076 0.000 0.912 73 G HN 0.005 8.768 8.290 0.092 -0.418 0.574 74 M N 2.150 121.745 119.600 -0.008 0.000 2.213 74 M HA -0.419 4.018 4.480 -0.072 0.000 0.263 74 M C 2.124 178.386 176.300 -0.063 0.000 1.062 74 M CA 4.055 59.320 55.300 -0.057 0.000 1.105 74 M CB 0.102 32.647 32.600 -0.092 0.000 1.385 74 M HN -0.369 7.913 8.290 -0.013 0.000 0.417 75 V N -0.907 118.992 119.914 -0.025 0.000 2.295 75 V HA -0.620 3.366 4.120 -0.222 0.000 0.246 75 V C 1.510 177.531 176.094 -0.123 0.000 1.049 75 V CA 4.304 66.522 62.300 -0.138 0.000 1.024 75 V CB -0.316 31.403 31.823 -0.173 0.000 0.648 75 V HN -0.508 7.697 8.190 0.045 0.012 0.447 76 R N -0.980 119.535 120.500 0.025 0.000 2.096 76 R HA -0.327 4.037 4.340 0.039 0.000 0.235 76 R C 1.811 178.111 176.300 -0.000 0.000 1.127 76 R CA 2.602 58.733 56.100 0.052 0.000 0.968 76 R CB -0.745 29.638 30.300 0.138 0.000 0.861 76 R HN -0.617 7.713 8.270 0.100 0.000 0.440 77 E N -0.162 120.026 120.200 -0.020 0.000 2.110 77 E HA -0.341 4.000 4.350 -0.014 0.000 0.193 77 E C 2.533 179.094 176.600 -0.065 0.000 0.988 77 E CA 3.097 59.475 56.400 -0.036 0.000 0.804 77 E CB -0.320 29.349 29.700 -0.051 0.000 0.745 77 E HN -0.570 7.779 8.360 -0.018 0.000 0.458 78 L N -0.971 120.183 121.223 -0.116 0.000 2.027 78 L HA -0.225 4.004 4.340 -0.185 0.000 0.206 78 L C 3.044 179.848 176.870 -0.110 0.000 1.074 78 L CA 2.895 57.635 54.840 -0.167 0.000 0.745 78 L CB -0.013 41.902 42.059 -0.240 0.000 0.898 78 L HN -0.502 7.652 8.230 -0.127 0.000 0.433 79 I N -0.599 119.914 120.570 -0.095 0.000 2.194 79 I HA -0.458 3.689 4.170 -0.039 0.000 0.246 79 I C 1.618 177.789 176.117 0.090 0.000 1.093 79 I CA 3.594 64.874 61.300 -0.032 0.000 1.355 79 I CB -0.108 37.847 38.000 -0.074 0.000 1.046 79 I HN -0.262 7.872 8.210 -0.127 0.000 0.413 80 D N -3.917 116.523 120.400 0.068 0.000 2.328 80 D HA 0.123 4.799 4.640 0.060 0.000 0.226 80 D C -0.721 175.672 176.300 0.155 0.000 1.066 80 D CA 0.224 54.272 54.000 0.080 0.000 0.861 80 D CB -0.386 40.439 40.800 0.043 0.000 0.912 80 D HN -0.528 7.849 8.370 0.031 0.011 0.521 81 H N -4.624 114.414 119.070 -0.053 0.000 2.791 81 H HA -0.327 4.190 4.556 -0.063 0.000 0.302 81 H C 0.112 175.413 175.328 -0.045 0.000 1.198 81 H CA 1.114 57.131 56.048 -0.052 0.000 1.145 81 H CB -2.800 26.938 29.762 -0.040 0.000 1.385 81 H HN -0.179 8.052 8.280 0.218 0.180 0.409 82 K N -3.764 116.657 120.400 0.035 0.000 2.400 82 K HA -0.035 4.295 4.320 0.015 0.000 0.194 82 K C -1.440 175.137 176.600 -0.037 0.000 1.033 82 K CA 0.808 57.096 56.287 0.002 0.000 1.021 82 K CB 0.849 33.349 32.500 -0.000 0.000 0.808 82 K HN -0.248 7.990 8.250 0.025 0.027 0.505 83 A N -3.722 119.050 122.820 -0.080 0.000 2.539 83 A HA 0.199 4.456 4.320 -0.105 0.000 0.296 83 A C -2.144 175.330 177.584 -0.184 0.000 1.073 83 A CA -0.962 51.002 52.037 -0.122 0.000 0.700 83 A CB 2.647 21.569 19.000 -0.131 0.000 1.296 83 A HN -0.873 7.188 8.150 -0.090 0.035 0.405 84 D N 0.118 120.392 120.400 -0.209 0.000 2.183 84 D HA 0.049 4.524 4.640 -0.276 0.000 0.205 84 D C -0.305 175.808 176.300 -0.311 0.000 0.962 84 D CA 3.182 57.015 54.000 -0.279 0.000 0.849 84 D CB 1.951 42.555 40.800 -0.327 0.000 0.978 84 D HN -0.017 8.238 8.370 -0.192 0.000 0.488 85 L N -3.951 117.096 121.223 -0.294 0.000 2.393 85 L HA 0.682 5.048 4.340 -0.255 -0.179 0.260 85 L C -2.634 174.107 176.870 -0.214 0.000 1.002 85 L CA -1.543 53.135 54.840 -0.271 0.000 0.818 85 L CB 5.178 47.044 42.059 -0.322 0.000 1.369 85 L HN -0.700 7.369 8.230 -0.269 0.000 0.412 86 A N 0.662 123.374 122.820 -0.180 0.000 2.285 86 A HA 0.807 5.245 4.320 -0.159 -0.214 0.310 86 A C -1.479 176.048 177.584 -0.094 0.000 1.266 86 A CA -1.680 50.271 52.037 -0.144 0.000 0.832 86 A CB 1.836 20.755 19.000 -0.134 0.000 1.163 86 A HN 0.571 8.615 8.150 -0.176 0.000 0.499 87 V N 4.874 124.716 119.914 -0.121 0.000 2.304 87 V HA 0.336 4.441 4.120 -0.026 0.000 0.278 87 V C -2.039 173.995 176.094 -0.100 0.000 1.018 87 V CA -0.741 61.500 62.300 -0.099 0.000 0.814 87 V CB 0.339 32.057 31.823 -0.175 0.000 1.021 87 V HN -0.170 7.926 8.190 -0.158 0.000 0.440 88 A N 6.057 128.871 122.820 -0.009 0.000 2.540 88 A HA 0.381 4.647 4.320 -0.090 0.000 0.291 88 A C -2.872 174.673 177.584 -0.065 0.000 1.083 88 A CA -1.368 50.632 52.037 -0.063 0.000 0.650 88 A CB 1.744 20.675 19.000 -0.114 0.000 1.292 88 A HN 0.171 8.377 8.150 0.093 0.000 0.435 89 P HA 0.013 3.575 4.420 -1.429 0.000 0.237 89 P C -2.310 174.529 177.300 -0.769 0.000 1.788 89 P CA -0.156 62.218 63.100 -1.210 0.000 1.061 89 P CB -1.925 28.676 31.700 -1.832 0.000 1.967 90 L N 3.447 124.520 121.223 -0.250 0.000 2.262 90 L HA 0.135 4.577 4.340 0.170 0.000 0.288 90 L C -1.980 175.011 176.870 0.202 0.000 1.035 90 L CA -1.531 53.380 54.840 0.119 0.000 0.820 90 L CB 1.819 44.020 42.059 0.237 0.000 1.204 90 L HN -0.462 7.642 8.230 -0.153 0.034 0.424 91 A N 7.020 129.949 122.820 0.183 0.000 2.477 91 A HA 0.165 4.711 4.320 0.096 -0.168 0.246 91 A C -0.009 177.452 177.584 -0.205 0.000 1.078 91 A CA -0.750 51.322 52.037 0.058 0.000 0.770 91 A CB 0.462 19.469 19.000 0.013 0.000 1.011 91 A HN 0.409 8.645 8.150 0.145 0.000 0.494 92 I N 4.602 124.851 120.570 -0.535 0.000 2.436 92 I HA -0.065 2.913 4.170 -1.987 0.000 0.289 92 I C -0.673 175.170 176.117 -0.457 0.000 1.083 92 I CA 0.936 61.615 61.300 -1.034 0.000 1.372 92 I CB -0.624 36.866 38.000 -0.850 0.000 1.408 92 I HN -0.018 7.941 8.210 -0.419 0.000 0.516 93 T N 4.554 118.939 114.554 -0.282 0.000 2.896 93 T HA 0.347 4.672 4.350 -0.041 0.000 0.297 93 T C 0.327 175.070 174.700 0.070 0.000 1.108 93 T CA -2.847 59.233 62.100 -0.033 0.000 1.004 93 T CB 2.785 71.694 68.868 0.068 0.000 1.159 93 T HN -0.330 7.729 8.240 -0.301 0.000 0.499 94 Y N 3.950 124.257 120.300 0.011 0.000 2.081 94 Y HA -0.432 4.134 4.550 0.026 0.000 0.280 94 Y C 0.832 176.788 175.900 0.093 0.000 1.163 94 Y CA 3.520 61.644 58.100 0.039 0.000 1.135 94 Y CB -0.651 37.825 38.460 0.027 0.000 0.970 94 Y HN 0.380 8.810 8.280 0.250 0.000 0.498 95 V N -6.892 113.086 119.914 0.107 0.000 2.515 95 V HA -0.284 3.943 4.120 -0.131 -0.186 0.250 95 V C 0.929 177.099 176.094 0.126 0.000 1.058 95 V CA 2.231 64.590 62.300 0.098 0.000 1.064 95 V CB -0.242 31.775 31.823 0.324 0.000 0.675 95 V HN -0.399 7.951 8.190 0.267 0.000 0.461 96 R N -1.035 119.541 120.500 0.126 0.000 2.073 96 R HA -0.256 3.854 4.340 -0.384 0.000 0.229 96 R C 2.138 178.428 176.300 -0.016 0.000 1.120 96 R CA 3.271 59.348 56.100 -0.037 0.000 0.967 96 R CB 0.033 30.456 30.300 0.204 0.000 0.862 96 R HN -0.833 7.545 8.270 0.180 0.000 0.436 97 E N -0.712 119.550 120.200 0.102 0.000 2.338 97 E HA -0.189 4.417 4.350 0.184 -0.146 0.197 97 E C 1.439 177.994 176.600 -0.074 0.000 1.007 97 E CA 1.892 58.346 56.400 0.088 0.000 0.849 97 E CB -0.405 29.349 29.700 0.092 0.000 0.774 97 E HN -0.323 8.096 8.360 0.098 0.000 0.506 98 E N -2.777 117.319 120.200 -0.173 0.000 2.204 98 E HA -0.205 4.049 4.350 -0.161 0.000 0.194 98 E C 1.401 177.918 176.600 -0.138 0.000 0.989 98 E CA 2.397 58.691 56.400 -0.177 0.000 0.824 98 E CB 0.506 30.071 29.700 -0.226 0.000 0.756 98 E HN -0.637 7.573 8.360 -0.204 0.028 0.477 99 V N -8.985 110.804 119.914 -0.208 0.000 3.539 99 V HA 0.202 4.220 4.120 -0.171 0.000 0.262 99 V C -1.010 174.910 176.094 -0.291 0.000 1.381 99 V CA 0.301 62.445 62.300 -0.260 0.000 1.060 99 V CB 2.338 33.902 31.823 -0.432 0.000 0.842 99 V HN -0.488 7.409 8.190 -0.244 0.147 0.445 100 I N -5.117 115.261 120.570 -0.320 0.000 3.206 100 I HA 0.314 4.318 4.170 -0.277 0.000 0.313 100 I C -2.604 173.347 176.117 -0.276 0.000 1.103 100 I CA -2.165 58.930 61.300 -0.341 0.000 0.985 100 I CB 3.152 40.850 38.000 -0.502 0.000 1.240 100 I HN -0.383 7.640 8.210 -0.311 0.000 0.464 101 D N 0.205 120.431 120.400 -0.290 0.000 2.492 101 D HA 0.653 5.439 4.640 -0.055 -0.179 0.248 101 D C -0.909 175.286 176.300 -0.174 0.000 1.101 101 D CA -1.485 52.425 54.000 -0.150 0.000 0.840 101 D CB 3.299 44.051 40.800 -0.080 0.000 1.209 101 D HN -0.124 8.054 8.370 -0.320 0.000 0.524 102 F N 3.496 123.423 119.950 -0.037 0.000 2.425 102 F HA 0.646 5.366 4.527 -0.010 -0.199 0.331 102 F C 0.892 176.699 175.800 0.011 0.000 1.085 102 F CA -0.971 57.021 58.000 -0.013 0.000 1.028 102 F CB 3.260 42.251 39.000 -0.016 0.000 1.177 102 F HN -0.400 8.171 8.300 0.241 -0.127 0.487 103 S N 1.951 117.798 115.700 0.245 0.000 2.587 103 S HA 0.063 4.616 4.470 0.140 0.000 0.260 103 S C 0.586 175.281 174.600 0.158 0.000 1.353 103 S CA -0.354 57.955 58.200 0.181 0.000 0.995 103 S CB 1.007 64.322 63.200 0.192 0.000 0.912 103 S HN 0.353 8.811 8.310 0.247 0.000 0.568 104 K N 0.548 121.012 120.400 0.108 0.000 2.286 104 K HA -0.002 4.338 4.320 0.032 0.000 0.256 104 K C -1.400 175.240 176.600 0.067 0.000 0.999 104 K CA -0.367 55.957 56.287 0.062 0.000 0.908 104 K CB -0.924 31.604 32.500 0.047 0.000 0.981 104 K HN -0.134 8.178 8.250 0.102 0.000 0.500 105 P HA 0.073 4.611 4.420 -0.150 -0.208 0.275 105 P C -0.871 176.451 177.300 0.035 0.000 1.227 105 P CA -0.332 62.718 63.100 -0.083 0.000 0.781 105 P CB 0.470 32.076 31.700 -0.158 0.000 0.906 106 F N -2.934 117.081 119.950 0.108 0.000 2.746 106 F HA 0.264 4.861 4.527 0.117 0.000 0.297 106 F C -0.933 174.954 175.800 0.145 0.000 1.113 106 F CA -0.858 57.231 58.000 0.148 0.000 1.367 106 F CB 1.433 40.565 39.000 0.220 0.000 1.111 106 F HN -0.104 7.948 8.300 -0.414 0.000 0.590 107 M N -0.766 118.763 119.600 -0.118 0.000 2.471 107 M HA 0.343 4.807 4.480 -0.026 0.000 0.284 107 M C -2.676 173.441 176.300 -0.305 0.000 1.203 107 M CA 0.158 55.392 55.300 -0.109 0.000 0.915 107 M CB 3.748 36.346 32.600 -0.004 0.000 1.734 107 M HN -0.830 7.239 8.290 -0.369 0.000 0.485 108 T N 0.747 115.145 114.554 -0.260 0.000 2.912 108 T HA 0.907 5.171 4.350 -0.372 -0.138 0.288 108 T C -1.087 173.421 174.700 -0.320 0.000 1.030 108 T CA -1.857 60.062 62.100 -0.302 0.000 1.020 108 T CB 1.885 70.633 68.868 -0.200 0.000 1.056 108 T HN -0.067 8.056 8.240 -0.195 0.000 0.480 109 L N -5.267 115.750 121.223 -0.343 0.000 2.963 109 L HA 0.731 4.931 4.340 -0.233 0.000 0.273 109 L C -2.514 174.195 176.870 -0.269 0.000 1.078 109 L CA -0.664 53.991 54.840 -0.309 0.000 0.970 109 L CB 2.428 44.227 42.059 -0.433 0.000 1.564 109 L HN 0.277 8.305 8.230 -0.337 0.000 0.381 110 G N -4.146 104.517 108.800 -0.228 0.000 2.677 110 G HA2 0.666 4.546 3.960 -0.285 0.000 0.291 110 G HA3 0.666 4.637 3.960 -0.227 -0.147 0.291 110 G C -2.226 172.539 174.900 -0.225 0.000 1.435 110 G CA -0.511 44.442 45.100 -0.245 0.000 0.826 110 G HN -0.352 7.824 8.290 -0.191 0.000 0.491 111 I N -0.233 120.158 120.570 -0.299 0.000 2.648 111 I HA -0.195 3.857 4.170 -0.195 0.000 0.284 111 I C -1.439 174.569 176.117 -0.182 0.000 1.153 111 I CA 2.179 63.325 61.300 -0.257 0.000 1.426 111 I CB 0.020 37.788 38.000 -0.387 0.000 1.381 111 I HN 0.260 8.595 8.210 -0.388 -0.357 0.571 112 S N 3.862 119.496 115.700 -0.109 0.000 2.973 112 S HA 0.534 4.960 4.470 -0.073 0.000 0.317 112 S C -1.945 172.629 174.600 -0.043 0.000 1.196 112 S CA -2.380 55.781 58.200 -0.064 0.000 0.894 112 S CB 2.870 66.049 63.200 -0.036 0.000 1.292 112 S HN 0.490 8.743 8.310 -0.096 0.000 0.614 113 I N -0.042 120.521 120.570 -0.012 0.000 2.436 113 I HA 0.327 4.638 4.170 -0.026 -0.156 0.289 113 I C -1.870 174.293 176.117 0.076 0.000 1.010 113 I CA -0.818 60.481 61.300 -0.001 0.000 1.098 113 I CB 3.128 41.106 38.000 -0.036 0.000 1.266 113 I HN -0.094 8.116 8.210 0.000 0.000 0.434 114 L N 7.997 129.305 121.223 0.141 0.000 2.282 114 L HA 0.665 5.279 4.340 0.193 -0.159 0.288 114 L C -2.471 174.586 176.870 0.311 0.000 1.033 114 L CA -1.369 53.607 54.840 0.225 0.000 0.807 114 L CB 2.483 44.721 42.059 0.298 0.000 1.209 114 L HN 0.449 8.761 8.230 0.137 0.000 0.423 115 Y N 6.715 127.073 120.300 0.098 0.000 2.705 115 Y HA 0.388 5.004 4.550 0.111 0.000 0.332 115 Y C -2.004 173.942 175.900 0.077 0.000 1.221 115 Y CA -2.169 55.984 58.100 0.088 0.000 1.059 115 Y CB 3.836 42.328 38.460 0.055 0.000 1.298 115 Y HN 0.469 8.912 8.280 0.272 0.000 0.459 116 R N 0.901 121.114 120.500 -0.479 0.000 2.582 116 R HA 0.101 4.471 4.340 -0.172 -0.133 0.271 116 R C 0.155 176.284 176.300 -0.285 0.000 1.078 116 R CA 0.105 55.986 56.100 -0.364 0.000 1.127 116 R CB 0.794 30.841 30.300 -0.422 0.000 1.038 116 R HN 0.399 8.047 8.270 -1.035 0.000 0.500 117 K N 1.719 122.042 120.400 -0.129 0.000 2.380 117 K HA -0.213 4.089 4.320 -0.030 0.000 0.267 117 K C 0.355 176.910 176.600 -0.075 0.000 0.990 117 K CA 1.008 57.257 56.287 -0.064 0.000 0.946 117 K CB 0.222 32.703 32.500 -0.032 0.000 0.937 117 K HN -0.087 8.102 8.250 -0.101 0.000 0.491 118 G N 1.584 110.370 108.800 -0.024 0.000 2.851 118 G HA2 -0.230 3.733 3.960 0.004 0.000 0.272 118 G HA3 -0.230 3.718 3.960 -0.020 0.000 0.272 118 G C -1.230 173.676 174.900 0.010 0.000 1.100 118 G CA 0.134 45.228 45.100 -0.009 0.000 1.197 118 G HN 0.560 8.849 8.290 -0.003 0.000 0.561 119 T N 1.242 115.827 114.554 0.051 0.000 2.932 119 T HA 0.286 4.695 4.350 0.098 0.000 0.318 119 T C -1.895 172.857 174.700 0.088 0.000 1.265 119 T CA -3.095 59.069 62.100 0.107 0.000 1.036 119 T CB 1.224 70.240 68.868 0.248 0.000 1.209 119 T HN -0.644 7.627 8.240 0.050 0.000 0.484 120 P HA 0.208 4.653 4.420 0.042 0.000 0.245 120 P C -0.706 176.620 177.300 0.043 0.000 1.206 120 P CA 0.082 63.212 63.100 0.049 0.000 0.781 120 P CB 0.521 32.243 31.700 0.036 0.000 0.994 121 I N 1.308 121.915 120.570 0.062 0.000 2.587 121 I HA -0.343 3.821 4.170 -0.010 0.000 0.284 121 I C -0.742 175.386 176.117 0.019 0.000 1.134 121 I CA -0.173 61.136 61.300 0.015 0.000 1.410 121 I CB -1.297 36.683 38.000 -0.033 0.000 1.392 121 I HN -0.519 7.706 8.210 0.101 0.046 0.545 122 D N 4.878 125.276 120.400 -0.004 0.000 2.500 122 D HA 0.134 4.785 4.640 0.018 0.000 0.217 122 D C -1.323 174.973 176.300 -0.007 0.000 1.159 122 D CA -0.180 53.823 54.000 0.004 0.000 0.828 122 D CB 2.525 43.328 40.800 0.006 0.000 1.039 122 D HN -0.032 8.586 8.370 -0.019 -0.259 0.512 123 S N -5.271 110.412 115.700 -0.028 0.000 2.615 123 S HA 0.211 4.675 4.470 -0.011 0.000 0.268 123 S C -0.210 174.359 174.600 -0.051 0.000 1.146 123 S CA -1.868 56.319 58.200 -0.023 0.000 0.818 123 S CB 2.475 65.669 63.200 -0.010 0.000 1.111 123 S HN -0.785 7.499 8.310 -0.045 0.000 0.465 124 A N 1.422 124.238 122.820 -0.007 0.000 1.940 124 A HA -0.373 3.887 4.320 -0.101 0.000 0.219 124 A C 1.369 178.924 177.584 -0.050 0.000 1.176 124 A CA 3.187 55.220 52.037 -0.006 0.000 0.631 124 A CB -0.129 19.004 19.000 0.222 0.000 0.814 124 A HN 0.692 8.862 8.150 0.034 0.000 0.446 125 D N -1.732 118.652 120.400 -0.028 0.000 2.116 125 D HA -0.341 4.262 4.640 -0.061 0.000 0.193 125 D C 1.688 177.941 176.300 -0.078 0.000 0.998 125 D CA 3.751 57.718 54.000 -0.056 0.000 0.836 125 D CB -0.454 40.317 40.800 -0.048 0.000 0.951 125 D HN -0.030 8.338 8.370 -0.004 0.000 0.449 126 D N -0.928 119.425 120.400 -0.079 0.000 2.117 126 D HA -0.177 4.423 4.640 -0.067 0.000 0.197 126 D C 2.424 178.644 176.300 -0.134 0.000 0.987 126 D CA 2.723 56.672 54.000 -0.085 0.000 0.829 126 D CB -0.152 40.607 40.800 -0.068 0.000 0.961 126 D HN -0.642 7.687 8.370 -0.069 0.000 0.460 127 L N -1.052 120.044 121.223 -0.212 0.000 2.046 127 L HA -0.359 3.815 4.340 -0.276 0.000 0.208 127 L C 2.191 178.865 176.870 -0.326 0.000 1.077 127 L CA 3.023 57.660 54.840 -0.339 0.000 0.747 127 L CB -0.108 41.579 42.059 -0.621 0.000 0.896 127 L HN -0.640 7.464 8.230 -0.209 0.000 0.432 128 A N -1.412 121.244 122.820 -0.274 0.000 1.972 128 A HA -0.203 4.015 4.320 -0.169 0.000 0.219 128 A C 1.920 179.459 177.584 -0.075 0.000 1.169 128 A CA 2.462 54.406 52.037 -0.156 0.000 0.635 128 A CB -0.421 18.536 19.000 -0.072 0.000 0.810 128 A HN -0.024 7.984 8.150 -0.237 0.000 0.446 129 K N -4.642 115.711 120.400 -0.077 0.000 2.525 129 K HA -0.166 4.136 4.320 -0.030 0.000 0.192 129 K C -0.034 176.541 176.600 -0.041 0.000 1.029 129 K CA 0.747 57.007 56.287 -0.045 0.000 1.029 129 K CB 0.018 32.493 32.500 -0.041 0.000 0.814 129 K HN -0.533 7.637 8.250 -0.094 0.023 0.503 130 Q N -2.926 116.836 119.800 -0.063 0.000 2.615 130 Q HA 0.240 4.562 4.340 -0.030 0.000 0.298 130 Q C -1.820 174.121 176.000 -0.097 0.000 1.023 130 Q CA -0.634 55.137 55.803 -0.053 0.000 0.768 130 Q CB 1.476 30.188 28.738 -0.044 0.000 1.500 130 Q HN -0.601 7.553 8.270 -0.085 0.065 0.441 131 T N -8.824 105.697 114.554 -0.055 0.000 3.130 131 T HA 0.240 4.433 4.350 -0.262 0.000 0.288 131 T C 0.726 175.448 174.700 0.038 0.000 0.936 131 T CA -0.838 61.227 62.100 -0.058 0.000 0.897 131 T CB 1.370 70.304 68.868 0.110 0.000 1.178 131 T HN -0.094 8.136 8.240 -0.017 0.000 0.543 132 K N 1.347 121.767 120.400 0.033 0.000 2.057 132 K HA -0.194 4.171 4.320 0.074 0.000 0.207 132 K C 0.392 177.041 176.600 0.081 0.000 1.049 132 K CA 2.327 58.651 56.287 0.061 0.000 0.931 132 K CB 0.205 32.737 32.500 0.052 0.000 0.714 132 K HN -0.414 7.905 8.250 0.016 -0.059 0.440 133 I N -0.034 120.568 120.570 0.053 0.000 2.312 133 I HA -0.100 4.290 4.170 0.128 -0.143 0.291 133 I C -0.606 175.545 176.117 0.058 0.000 1.031 133 I CA -0.255 61.087 61.300 0.069 0.000 1.293 133 I CB 0.100 38.089 38.000 -0.020 0.000 1.403 133 I HN -0.292 8.315 8.210 0.021 -0.384 0.484 134 E N 7.269 127.553 120.200 0.140 0.000 2.371 134 E HA -0.003 4.389 4.350 0.071 0.000 0.257 134 E C -1.514 175.089 176.600 0.005 0.000 1.134 134 E CA -0.281 56.211 56.400 0.153 0.000 0.919 134 E CB 1.882 31.787 29.700 0.342 0.000 1.025 134 E HN -0.127 8.351 8.360 0.197 0.000 0.438 135 Y N -5.939 114.353 120.300 -0.014 0.000 2.581 135 Y HA 1.015 5.267 4.550 -0.839 -0.205 0.337 135 Y C -1.569 174.272 175.900 -0.098 0.000 1.108 135 Y CA -2.105 55.776 58.100 -0.365 0.000 1.033 135 Y CB 3.407 41.664 38.460 -0.338 0.000 1.318 135 Y HN -0.024 8.102 8.280 -0.257 0.000 0.459 136 G N -2.879 105.940 108.800 0.032 0.000 2.570 136 G HA2 0.481 4.547 3.960 0.176 0.000 0.310 136 G HA3 0.481 4.915 3.960 0.392 -0.238 0.310 136 G C -3.396 171.641 174.900 0.229 0.000 1.266 136 G CA 0.039 45.284 45.100 0.242 0.000 0.825 136 G HN -0.375 7.851 8.290 -0.107 0.000 0.483 137 A N -3.348 119.666 122.820 0.324 0.000 2.581 137 A HA 0.675 4.825 4.320 -0.284 0.000 0.290 137 A C -2.015 175.792 177.584 0.371 0.000 1.119 137 A CA -1.067 51.038 52.037 0.114 0.000 0.670 137 A CB 3.104 22.134 19.000 0.051 0.000 1.280 137 A HN -0.491 7.898 8.150 0.399 0.000 0.425 138 V N -0.066 120.020 119.914 0.287 0.000 2.529 138 V HA -0.151 4.360 4.120 0.368 -0.170 0.292 138 V C 0.016 176.250 176.094 0.234 0.000 1.028 138 V CA 0.644 63.127 62.300 0.305 0.000 1.074 138 V CB 0.176 32.145 31.823 0.244 0.000 0.958 138 V HN 0.552 8.825 8.190 0.138 0.000 0.481 139 E N 8.865 129.202 120.200 0.229 0.000 2.415 139 E HA -0.418 4.059 4.350 0.212 0.000 0.263 139 E C -0.354 176.358 176.600 0.186 0.000 0.995 139 E CA 1.599 58.118 56.400 0.199 0.000 0.915 139 E CB 0.467 30.267 29.700 0.167 0.000 0.951 139 E HN 0.057 8.555 8.360 0.230 0.000 0.449 140 D N 2.301 122.800 120.400 0.165 0.000 2.981 140 D HA -0.303 4.407 4.640 0.116 0.000 0.223 140 D C -0.970 175.442 176.300 0.187 0.000 1.151 140 D CA 1.800 55.889 54.000 0.150 0.000 0.827 140 D CB -1.224 39.659 40.800 0.138 0.000 1.101 140 D HN -0.124 8.345 8.370 0.165 0.000 0.426 141 G N -3.964 104.929 108.800 0.156 0.000 2.820 141 G HA2 0.355 4.410 3.960 0.158 0.000 0.291 141 G HA3 0.355 4.325 3.960 0.016 0.000 0.291 141 G C -1.085 173.861 174.900 0.078 0.000 1.323 141 G CA -1.463 43.697 45.100 0.101 0.000 1.055 141 G HN -0.926 7.415 8.290 0.146 0.036 0.520 142 A N -1.406 121.430 122.820 0.027 0.000 1.969 142 A HA -0.256 4.120 4.320 0.093 0.000 0.218 142 A C 2.146 179.765 177.584 0.058 0.000 1.169 142 A CA 3.240 55.307 52.037 0.050 0.000 0.635 142 A CB -0.572 18.436 19.000 0.014 0.000 0.810 142 A HN 0.597 8.721 8.150 -0.044 0.000 0.445 143 T N 1.799 116.376 114.554 0.038 0.000 2.737 143 T HA -0.433 3.973 4.350 0.093 0.000 0.265 143 T C 1.607 176.482 174.700 0.292 0.000 1.038 143 T CA 5.008 67.181 62.100 0.122 0.000 1.144 143 T CB -0.291 68.606 68.868 0.047 0.000 0.866 143 T HN -0.156 8.080 8.240 -0.008 0.000 0.434 144 M N 2.424 122.147 119.600 0.205 0.000 2.080 144 M HA -0.472 4.201 4.480 0.320 0.000 0.260 144 M C 1.425 177.729 176.300 0.007 0.000 1.068 144 M CA 4.373 59.794 55.300 0.202 0.000 1.109 144 M CB -0.206 32.507 32.600 0.188 0.000 1.342 144 M HN 0.051 8.430 8.290 0.148 0.000 0.405 145 T N 1.736 116.289 114.554 -0.002 0.000 2.788 145 T HA -0.445 3.772 4.350 -0.222 0.000 0.268 145 T C 1.679 176.313 174.700 -0.111 0.000 1.044 145 T CA 4.580 66.622 62.100 -0.097 0.000 1.139 145 T CB -0.260 68.606 68.868 -0.003 0.000 0.867 145 T HN -0.489 7.782 8.240 0.051 0.000 0.454 146 F N 3.196 123.055 119.950 -0.152 0.000 2.095 146 F HA -0.494 3.902 4.527 -0.218 0.000 0.298 146 F C 0.975 176.574 175.800 -0.335 0.000 1.104 146 F CA 3.903 61.751 58.000 -0.253 0.000 1.232 146 F CB 0.075 38.871 39.000 -0.339 0.000 0.987 146 F HN -0.305 8.105 8.300 0.183 0.000 0.475 147 F N -2.964 116.904 119.950 -0.137 0.000 2.146 147 F HA -0.453 3.958 4.527 -0.194 0.000 0.298 147 F C 2.690 178.187 175.800 -0.505 0.000 1.096 147 F CA 3.846 61.744 58.000 -0.170 0.000 1.275 147 F CB -0.188 38.943 39.000 0.218 0.000 1.008 147 F HN -0.505 7.958 8.300 0.271 0.000 0.480 148 K N -1.156 118.724 120.400 -0.868 0.000 2.097 148 K HA -0.334 2.398 4.320 -2.648 0.000 0.206 148 K C 1.491 177.688 176.600 -0.671 0.000 1.049 148 K CA 2.606 57.985 56.287 -1.513 0.000 0.933 148 K CB -0.061 31.607 32.500 -1.386 0.000 0.717 148 K HN -0.139 7.667 8.250 -0.739 0.000 0.442 149 R N -4.557 115.662 120.500 -0.468 0.000 2.246 149 R HA -0.006 4.183 4.340 -0.251 0.000 0.199 149 R C -0.279 175.833 176.300 -0.313 0.000 0.984 149 R CA 0.483 56.393 56.100 -0.316 0.000 1.015 149 R CB 0.560 30.713 30.300 -0.246 0.000 0.930 149 R HN -0.562 7.408 8.270 -0.478 0.013 0.475 150 S N -0.642 114.805 115.700 -0.423 0.000 2.549 150 S HA -0.031 4.174 4.470 -0.441 0.000 0.279 150 S C 0.004 174.502 174.600 -0.171 0.000 1.321 150 S CA 0.103 58.058 58.200 -0.408 0.000 1.054 150 S CB 0.990 63.851 63.200 -0.565 0.000 0.899 150 S HN -0.771 7.148 8.310 -0.474 0.107 0.497 151 K N 4.271 124.590 120.400 -0.136 0.000 2.367 151 K HA 0.059 4.350 4.320 -0.048 0.000 0.194 151 K C 0.059 176.625 176.600 -0.058 0.000 1.027 151 K CA -0.546 55.698 56.287 -0.071 0.000 1.075 151 K CB 0.235 32.694 32.500 -0.069 0.000 0.845 151 K HN 0.139 8.293 8.250 -0.160 0.000 0.529 152 I N 1.437 121.966 120.570 -0.068 0.000 2.692 152 I HA -0.113 3.998 4.170 -0.099 0.000 0.284 152 I C 1.388 177.435 176.117 -0.116 0.000 1.159 152 I CA -0.811 60.425 61.300 -0.106 0.000 1.423 152 I CB -0.518 37.383 38.000 -0.164 0.000 1.380 152 I HN -0.817 7.350 8.210 -0.071 0.000 0.580 153 S N 7.223 122.849 115.700 -0.124 0.000 2.359 153 S HA -0.315 4.135 4.470 -0.033 0.000 0.224 153 S C 1.913 176.466 174.600 -0.078 0.000 1.035 153 S CA 4.012 62.166 58.200 -0.076 0.000 1.018 153 S CB -0.586 62.571 63.200 -0.071 0.000 0.876 153 S HN 0.616 8.841 8.310 -0.142 0.000 0.448 154 T N 2.787 117.216 114.554 -0.208 0.000 2.720 154 T HA -0.306 3.999 4.350 -0.075 0.000 0.268 154 T C 1.639 176.365 174.700 0.044 0.000 1.037 154 T CA 4.712 66.711 62.100 -0.169 0.000 1.144 154 T CB -0.218 68.441 68.868 -0.348 0.000 0.864 154 T HN -0.035 8.025 8.240 -0.299 0.000 0.444 155 Y N -0.830 119.559 120.300 0.149 0.000 2.337 155 Y HA -0.170 4.678 4.550 0.497 0.000 0.293 155 Y C 1.660 177.751 175.900 0.319 0.000 1.123 155 Y CA -0.276 57.993 58.100 0.282 0.000 1.201 155 Y CB -1.330 37.140 38.460 0.017 0.000 1.011 155 Y HN -0.608 7.457 8.280 -0.358 0.000 0.545 156 D N 0.115 120.685 120.400 0.283 0.000 2.144 156 D HA -0.396 4.441 4.640 0.328 0.000 0.199 156 D C 1.828 178.301 176.300 0.288 0.000 0.984 156 D CA 3.732 57.891 54.000 0.265 0.000 0.834 156 D CB -0.047 40.832 40.800 0.132 0.000 0.955 156 D HN -0.063 8.409 8.370 0.170 0.000 0.465 157 K N -0.266 120.265 120.400 0.218 0.000 2.026 157 K HA -0.307 4.114 4.320 0.168 0.000 0.208 157 K C 2.496 179.262 176.600 0.277 0.000 1.048 157 K CA 3.027 59.430 56.287 0.193 0.000 0.929 157 K CB -0.073 32.500 32.500 0.121 0.000 0.713 157 K HN -0.496 7.858 8.250 0.175 0.000 0.439 158 M N -0.733 119.077 119.600 0.350 0.000 2.108 158 M HA -0.364 4.419 4.480 0.505 0.000 0.261 158 M C 2.127 178.702 176.300 0.459 0.000 1.066 158 M CA 3.717 59.281 55.300 0.440 0.000 1.107 158 M CB 0.205 33.004 32.600 0.332 0.000 1.356 158 M HN -0.456 8.044 8.290 0.350 0.000 0.406 159 W N -0.087 121.402 121.300 0.315 0.000 2.358 159 W HA -0.379 4.405 4.660 0.207 0.000 0.303 159 W C 0.880 177.502 176.519 0.172 0.000 1.208 159 W CA 2.775 60.263 57.345 0.237 0.000 1.274 159 W CB 0.489 30.093 29.460 0.239 0.000 1.138 159 W HN -0.047 8.546 8.180 0.689 0.000 0.515 160 A N -0.445 122.383 122.820 0.013 0.000 1.908 160 A HA -0.319 3.843 4.320 -0.263 0.000 0.218 160 A C 2.004 179.491 177.584 -0.161 0.000 1.181 160 A CA 2.873 54.836 52.037 -0.123 0.000 0.627 160 A CB -0.990 18.036 19.000 0.044 0.000 0.818 160 A HN -0.267 8.009 8.150 0.210 0.000 0.445 161 F N 0.101 119.953 119.950 -0.163 0.000 2.113 161 F HA -0.265 4.147 4.527 -0.192 0.000 0.297 161 F C 1.925 177.519 175.800 -0.344 0.000 1.103 161 F CA 3.466 61.337 58.000 -0.216 0.000 1.248 161 F CB 0.497 39.392 39.000 -0.175 0.000 0.999 161 F HN -0.728 7.715 8.300 0.237 0.000 0.475 162 M N -1.478 117.989 119.600 -0.221 0.000 2.117 162 M HA -0.542 3.760 4.480 -0.297 0.000 0.262 162 M C 1.778 177.714 176.300 -0.606 0.000 1.065 162 M CA 3.947 59.035 55.300 -0.352 0.000 1.114 162 M CB 0.190 32.708 32.600 -0.136 0.000 1.361 162 M HN -0.167 8.093 8.290 -0.051 0.000 0.408 163 S N -1.595 113.527 115.700 -0.963 0.000 2.368 163 S HA -0.233 3.785 4.470 -0.752 0.000 0.224 163 S C 2.875 177.196 174.600 -0.465 0.000 1.029 163 S CA 3.092 60.784 58.200 -0.846 0.000 0.988 163 S CB -0.534 62.036 63.200 -1.050 0.000 0.838 163 S HN 0.093 7.726 8.310 -1.128 0.000 0.462 164 S N 4.366 119.803 115.700 -0.439 0.000 2.370 164 S HA -0.260 4.052 4.470 -0.262 0.000 0.226 164 S C 1.494 175.883 174.600 -0.352 0.000 1.033 164 S CA 2.875 60.871 58.200 -0.339 0.000 1.011 164 S CB -0.208 62.800 63.200 -0.320 0.000 0.852 164 S HN -0.293 7.735 8.310 -0.470 0.000 0.457 165 R N -0.116 120.100 120.500 -0.474 0.000 2.480 165 R HA 0.274 4.418 4.340 -0.327 0.000 0.277 165 R C 0.582 176.728 176.300 -0.257 0.000 1.008 165 R CA -0.892 54.964 56.100 -0.408 0.000 1.090 165 R CB -0.246 29.675 30.300 -0.631 0.000 1.234 165 R HN -0.492 7.430 8.270 -0.580 0.000 0.549 166 R N -0.250 120.116 120.500 -0.223 0.000 2.127 166 R HA -0.327 3.995 4.340 -0.115 -0.051 0.238 166 R C 1.902 178.166 176.300 -0.059 0.000 1.134 166 R CA 3.299 59.323 56.100 -0.127 0.000 0.975 166 R CB -0.793 29.442 30.300 -0.109 0.000 0.865 166 R HN -0.858 7.197 8.270 -0.247 0.067 0.447 167 Q N -2.186 117.572 119.800 -0.070 0.000 2.291 167 Q HA -0.196 4.131 4.340 -0.021 0.000 0.205 167 Q C 1.100 177.077 176.000 -0.039 0.000 0.970 167 Q CA 1.929 57.707 55.803 -0.041 0.000 0.876 167 Q CB -0.958 27.752 28.738 -0.046 0.000 0.935 167 Q HN 0.361 8.561 8.270 -0.092 0.015 0.455 168 S N -2.536 113.130 115.700 -0.056 0.000 2.468 168 S HA -0.043 4.396 4.470 -0.052 0.000 0.226 168 S C 2.034 176.622 174.600 -0.020 0.000 1.051 168 S CA 1.513 59.683 58.200 -0.050 0.000 0.943 168 S CB 0.532 63.695 63.200 -0.062 0.000 0.810 168 S HN -0.416 7.821 8.310 -0.079 0.026 0.509 169 V N -4.081 115.849 119.914 0.027 0.000 3.565 169 V HA 0.212 4.480 4.120 0.246 0.000 0.260 169 V C -1.569 174.673 176.094 0.247 0.000 1.231 169 V CA 0.166 62.583 62.300 0.194 0.000 1.100 169 V CB 1.069 33.017 31.823 0.208 0.000 0.807 169 V HN -0.378 7.803 8.190 -0.017 0.000 0.454 170 L N 0.457 121.769 121.223 0.149 0.000 2.305 170 L HA 0.364 5.066 4.340 0.277 -0.197 0.281 170 L C 0.026 176.995 176.870 0.164 0.000 1.085 170 L CA -0.254 54.705 54.840 0.198 0.000 0.813 170 L CB 0.560 42.718 42.059 0.166 0.000 1.157 170 L HN -0.726 7.553 8.230 0.083 0.000 0.436 171 V N -5.257 114.786 119.914 0.216 0.000 3.113 171 V HA 0.617 4.844 4.120 0.083 -0.058 0.316 171 V C -0.218 175.972 176.094 0.160 0.000 1.125 171 V CA -3.252 59.132 62.300 0.140 0.000 1.026 171 V CB 3.608 35.481 31.823 0.084 0.000 1.080 171 V HN 0.216 8.584 8.190 0.295 0.000 0.444 172 K N -1.967 118.501 120.400 0.113 0.000 2.379 172 K HA 0.099 4.504 4.320 0.143 0.000 0.194 172 K C -0.652 176.042 176.600 0.156 0.000 1.031 172 K CA -0.379 55.984 56.287 0.126 0.000 1.037 172 K CB 0.640 33.191 32.500 0.085 0.000 0.824 172 K HN 0.245 9.204 8.250 0.076 -0.663 0.516 173 S N -5.713 110.084 115.700 0.161 0.000 2.588 173 S HA 0.102 4.720 4.470 0.246 0.000 0.269 173 S C -0.343 174.377 174.600 0.201 0.000 1.157 173 S CA -1.831 56.483 58.200 0.190 0.000 0.824 173 S CB 2.824 66.102 63.200 0.130 0.000 1.126 173 S HN -0.864 7.527 8.310 0.136 0.000 0.464 174 N N 1.991 120.848 118.700 0.261 0.000 2.104 174 N HA -0.411 4.613 4.740 0.474 0.000 0.190 174 N C 1.635 177.208 175.510 0.104 0.000 1.024 174 N CA 3.638 56.868 53.050 0.300 0.000 0.853 174 N CB -0.500 38.184 38.487 0.328 0.000 1.008 174 N HN 0.580 9.125 8.380 0.274 0.000 0.424 175 E N 0.769 121.023 120.200 0.091 0.000 2.085 175 E HA -0.463 3.919 4.350 0.054 0.000 0.194 175 E C 1.724 178.301 176.600 -0.039 0.000 0.994 175 E CA 3.555 59.979 56.400 0.041 0.000 0.801 175 E CB -0.303 29.432 29.700 0.059 0.000 0.743 175 E HN 0.361 8.786 8.360 0.117 0.005 0.453 176 E N -1.517 118.649 120.200 -0.056 0.000 2.106 176 E HA -0.295 4.000 4.350 -0.092 0.000 0.192 176 E C 2.689 179.129 176.600 -0.266 0.000 0.984 176 E CA 2.202 58.535 56.400 -0.112 0.000 0.806 176 E CB -0.262 29.401 29.700 -0.062 0.000 0.750 176 E HN -0.607 7.745 8.360 -0.014 0.000 0.458 177 G N -0.369 108.139 108.800 -0.487 0.000 2.418 177 G HA2 -0.254 3.178 3.960 -0.879 0.000 0.217 177 G HA3 -0.254 2.268 3.960 -2.395 0.000 0.217 177 G C 1.002 175.529 174.900 -0.623 0.000 1.158 177 G CA 1.919 46.348 45.100 -1.118 0.000 0.771 177 G HN -0.485 7.483 8.290 -0.406 0.079 0.545 178 I N 1.931 122.305 120.570 -0.326 0.000 2.226 178 I HA -0.559 3.607 4.170 -0.006 0.000 0.245 178 I C 1.517 177.601 176.117 -0.054 0.000 1.100 178 I CA 3.917 65.174 61.300 -0.072 0.000 1.374 178 I CB -0.042 37.971 38.000 0.021 0.000 1.057 178 I HN -0.239 7.802 8.210 -0.283 0.000 0.413 179 Q N -0.715 119.030 119.800 -0.091 0.000 2.124 179 Q HA -0.360 3.956 4.340 -0.040 0.000 0.202 179 Q C 2.206 178.149 176.000 -0.095 0.000 0.977 179 Q CA 3.081 58.841 55.803 -0.073 0.000 0.850 179 Q CB -0.455 28.238 28.738 -0.075 0.000 0.901 179 Q HN -0.402 7.802 8.270 -0.111 0.000 0.429 180 R N 0.059 120.448 120.500 -0.187 0.000 2.092 180 R HA -0.204 4.001 4.340 -0.225 0.000 0.231 180 R C 2.466 178.752 176.300 -0.023 0.000 1.119 180 R CA 2.462 58.402 56.100 -0.266 0.000 0.970 180 R CB -0.577 29.276 30.300 -0.745 0.000 0.864 180 R HN -0.577 7.465 8.270 -0.243 0.082 0.440 181 V N 0.229 120.229 119.914 0.144 0.000 2.407 181 V HA -0.433 4.115 4.120 0.418 -0.177 0.248 181 V C 1.972 178.142 176.094 0.127 0.000 1.055 181 V CA 3.917 66.379 62.300 0.271 0.000 1.049 181 V CB -0.018 31.969 31.823 0.273 0.000 0.662 181 V HN -0.435 7.810 8.190 0.092 0.000 0.455 182 L N -5.461 115.797 121.223 0.057 0.000 2.395 182 L HA -0.110 4.242 4.340 0.020 0.000 0.218 182 L C 1.145 178.023 176.870 0.014 0.000 1.130 182 L CA 2.154 57.009 54.840 0.024 0.000 0.826 182 L CB -0.079 41.986 42.059 0.011 0.000 0.941 182 L HN -0.508 7.733 8.230 0.039 0.013 0.451 183 T N -6.658 107.904 114.554 0.012 0.000 3.043 183 T HA 0.086 4.438 4.350 0.003 0.000 0.272 183 T C -0.055 174.654 174.700 0.015 0.000 0.990 183 T CA -0.286 61.815 62.100 0.001 0.000 0.897 183 T CB 0.722 69.577 68.868 -0.021 0.000 1.111 183 T HN -0.491 7.611 8.240 0.012 0.146 0.529 184 S N 0.964 116.694 115.700 0.051 0.000 2.615 184 S HA 0.139 4.651 4.470 0.069 0.000 0.269 184 S C -1.681 173.024 174.600 0.175 0.000 1.161 184 S CA -1.032 57.219 58.200 0.086 0.000 0.817 184 S CB 2.513 65.746 63.200 0.055 0.000 1.131 184 S HN -0.636 7.716 8.310 0.070 0.000 0.467 185 D N 2.433 122.952 120.400 0.198 0.000 2.508 185 D HA 0.157 4.979 4.640 0.303 0.000 0.224 185 D C -1.930 174.598 176.300 0.380 0.000 1.171 185 D CA 0.461 54.627 54.000 0.278 0.000 1.006 185 D CB -1.245 39.680 40.800 0.208 0.000 1.073 185 D HN 0.279 8.746 8.370 0.161 0.000 0.513 186 Y N 3.349 123.829 120.300 0.300 0.000 2.479 186 Y HA 0.532 5.437 4.550 0.207 -0.231 0.338 186 Y C -2.886 173.225 175.900 0.351 0.000 1.055 186 Y CA -1.007 57.244 58.100 0.251 0.000 1.023 186 Y CB 4.016 42.580 38.460 0.174 0.000 1.287 186 Y HN -0.566 8.049 8.280 0.559 0.000 0.447 187 A N 6.655 129.351 122.820 -0.207 0.000 2.330 187 A HA 0.570 5.126 4.320 0.181 -0.127 0.327 187 A C -2.671 174.756 177.584 -0.263 0.000 1.155 187 A CA -2.370 49.579 52.037 -0.147 0.000 0.803 187 A CB 2.999 21.755 19.000 -0.407 0.000 1.208 187 A HN 0.643 8.564 8.150 -0.381 0.000 0.477 188 F N 4.334 124.204 119.950 -0.133 0.000 2.427 188 F HA 0.345 4.778 4.527 -0.156 0.000 0.346 188 F C -2.201 173.601 175.800 0.004 0.000 1.120 188 F CA -2.965 55.013 58.000 -0.037 0.000 1.033 188 F CB 3.544 42.669 39.000 0.208 0.000 1.126 188 F HN 0.281 8.748 8.300 0.278 0.000 0.462 189 L N 9.517 130.485 121.223 -0.424 0.000 2.315 189 L HA 0.423 4.815 4.340 -0.217 -0.182 0.283 189 L C -1.131 175.384 176.870 -0.592 0.000 1.089 189 L CA -0.359 54.264 54.840 -0.361 0.000 0.833 189 L CB -1.017 40.898 42.059 -0.239 0.000 1.170 189 L HN 0.432 8.425 8.230 -0.396 0.000 0.442 190 M N 2.719 122.124 119.600 -0.325 0.000 2.644 190 M HA 0.498 4.805 4.480 -0.288 0.000 0.273 190 M C -2.234 174.023 176.300 -0.071 0.000 1.253 190 M CA -0.947 54.211 55.300 -0.237 0.000 0.852 190 M CB 3.967 36.504 32.600 -0.105 0.000 1.708 190 M HN 0.273 8.448 8.290 -0.192 0.000 0.471 191 E N 0.942 121.134 120.200 -0.014 0.000 2.373 191 E HA 0.037 4.487 4.350 -0.064 -0.138 0.267 191 E C 1.384 178.027 176.600 0.073 0.000 1.032 191 E CA 0.155 56.556 56.400 0.003 0.000 0.889 191 E CB 0.857 30.584 29.700 0.046 0.000 0.984 191 E HN 0.582 8.946 8.360 0.007 0.000 0.425 192 S N 4.156 119.866 115.700 0.016 0.000 2.382 192 S HA -0.351 4.156 4.470 0.062 0.000 0.228 192 S C 1.748 176.429 174.600 0.134 0.000 1.027 192 S CA 3.597 61.825 58.200 0.047 0.000 0.991 192 S CB 0.180 63.368 63.200 -0.021 0.000 0.823 192 S HN 0.452 8.735 8.310 -0.046 0.000 0.469 193 T N -0.372 114.279 114.554 0.161 0.000 2.746 193 T HA -0.278 4.201 4.350 0.214 0.000 0.267 193 T C 1.916 176.969 174.700 0.588 0.000 1.039 193 T CA 3.125 65.415 62.100 0.317 0.000 1.142 193 T CB -0.501 68.569 68.868 0.338 0.000 0.866 193 T HN 0.050 8.349 8.240 0.098 0.000 0.444 194 T N 4.598 119.457 114.554 0.509 0.000 2.857 194 T HA -0.267 4.376 4.350 0.489 0.000 0.266 194 T C 1.501 176.433 174.700 0.387 0.000 1.048 194 T CA 4.616 66.998 62.100 0.470 0.000 1.139 194 T CB -0.230 68.894 68.868 0.426 0.000 0.874 194 T HN -0.766 7.735 8.240 0.437 0.000 0.455 195 I N 1.798 122.547 120.570 0.299 0.000 2.208 195 I HA -0.498 3.816 4.170 0.239 0.000 0.245 195 I C 1.449 177.712 176.117 0.244 0.000 1.097 195 I CA 4.351 65.795 61.300 0.239 0.000 1.363 195 I CB -0.335 37.766 38.000 0.169 0.000 1.051 195 I HN -0.288 8.081 8.210 0.264 0.000 0.413 196 E N 0.489 120.866 120.200 0.295 0.000 2.085 196 E HA -0.369 4.107 4.350 0.209 0.000 0.194 196 E C 2.319 179.124 176.600 0.342 0.000 0.994 196 E CA 2.962 59.543 56.400 0.302 0.000 0.801 196 E CB -0.107 29.787 29.700 0.323 0.000 0.743 196 E HN -0.391 8.156 8.360 0.312 0.000 0.453 197 F N 0.450 120.562 119.950 0.269 0.000 2.102 197 F HA -0.262 4.426 4.527 -0.000 -0.161 0.298 197 F C 2.062 177.876 175.800 0.023 0.000 1.105 197 F CA 3.263 61.266 58.000 0.006 0.000 1.239 197 F CB 0.341 39.140 39.000 -0.335 0.000 0.991 197 F HN -0.836 7.845 8.300 0.635 0.000 0.474 198 V N -1.621 118.368 119.914 0.125 0.000 2.427 198 V HA -0.666 3.447 4.120 -0.012 0.000 0.248 198 V C 1.760 177.842 176.094 -0.020 0.000 1.051 198 V CA 4.089 66.421 62.300 0.052 0.000 1.048 198 V CB -0.049 31.884 31.823 0.182 0.000 0.666 198 V HN -0.213 8.144 8.190 0.278 0.000 0.456 199 T N -3.752 110.819 114.554 0.029 0.000 3.055 199 T HA -0.173 4.189 4.350 0.019 0.000 0.265 199 T C 1.628 176.314 174.700 -0.024 0.000 1.111 199 T CA 2.432 64.544 62.100 0.020 0.000 1.118 199 T CB 0.114 69.017 68.868 0.058 0.000 0.909 199 T HN -0.176 8.108 8.240 0.074 0.000 0.501 200 Q N -0.197 119.562 119.800 -0.069 0.000 2.230 200 Q HA -0.162 4.150 4.340 -0.047 0.000 0.202 200 Q C 1.617 177.528 176.000 -0.148 0.000 0.963 200 Q CA 2.247 57.993 55.803 -0.095 0.000 0.866 200 Q CB 0.023 28.697 28.738 -0.107 0.000 0.931 200 Q HN -0.576 7.626 8.270 -0.079 0.021 0.452 201 R N -4.716 115.653 120.500 -0.218 0.000 2.237 201 R HA 0.046 4.276 4.340 -0.183 0.000 0.195 201 R C 0.066 176.306 176.300 -0.100 0.000 0.956 201 R CA 0.077 56.056 56.100 -0.202 0.000 1.029 201 R CB 1.218 31.328 30.300 -0.316 0.000 0.972 201 R HN -0.706 7.279 8.270 -0.242 0.140 0.493 202 N N 0.287 118.947 118.700 -0.068 0.000 2.573 202 N HA 0.165 4.886 4.740 -0.031 0.000 0.262 202 N C -0.593 174.906 175.510 -0.018 0.000 1.029 202 N CA -0.803 52.229 53.050 -0.031 0.000 0.882 202 N CB 1.506 39.987 38.487 -0.010 0.000 1.204 202 N HN -0.417 7.921 8.380 -0.070 0.000 0.519 203 c N 4.859 123.448 118.600 -0.019 0.000 2.539 203 c HA 0.121 4.685 4.570 -0.010 0.000 0.271 203 c C 0.572 174.657 174.090 -0.009 0.000 1.412 203 c CA 0.103 56.424 56.329 -0.012 0.000 1.729 203 c CB -1.287 41.215 42.510 -0.013 0.000 1.739 203 c HN 0.762 8.979 8.230 -0.021 0.000 0.570 204 N N -0.168 118.526 118.700 -0.011 0.000 2.412 204 N HA 0.021 4.749 4.740 -0.020 0.000 0.184 204 N C -1.027 174.471 175.510 -0.019 0.000 1.101 204 N CA 2.003 55.043 53.050 -0.018 0.000 0.881 204 N CB 0.738 39.212 38.487 -0.021 0.000 0.969 204 N HN -0.223 8.387 8.380 -0.011 -0.236 0.459 205 L N -2.564 118.660 121.223 0.001 0.000 2.322 205 L HA 0.682 5.162 4.340 0.007 -0.136 0.269 205 L C -1.016 175.878 176.870 0.039 0.000 1.012 205 L CA -0.960 53.893 54.840 0.023 0.000 0.815 205 L CB 2.876 44.966 42.059 0.052 0.000 1.295 205 L HN -0.685 7.500 8.230 0.005 0.048 0.438 206 T N -0.881 113.712 114.554 0.065 0.000 2.868 206 T HA 0.351 4.740 4.350 0.064 0.000 0.306 206 T C -2.108 172.654 174.700 0.104 0.000 1.224 206 T CA -1.955 60.189 62.100 0.073 0.000 1.012 206 T CB 2.631 71.534 68.868 0.058 0.000 1.221 206 T HN 0.459 8.748 8.240 0.080 0.000 0.499 207 Q N 4.523 124.377 119.800 0.089 0.000 2.352 207 Q HA 0.386 5.001 4.340 0.098 -0.216 0.260 207 Q C -0.644 175.403 176.000 0.078 0.000 0.976 207 Q CA 0.211 56.065 55.803 0.085 0.000 0.881 207 Q CB 1.112 29.889 28.738 0.066 0.000 1.235 207 Q HN 0.214 8.530 8.270 0.078 0.000 0.419 208 I N 5.545 126.159 120.570 0.072 0.000 2.406 208 I HA 0.152 4.359 4.170 0.061 0.000 0.290 208 I C -0.549 175.582 176.117 0.024 0.000 0.999 208 I CA -1.801 59.532 61.300 0.056 0.000 1.124 208 I CB 0.492 38.528 38.000 0.060 0.000 1.289 208 I HN 0.302 8.554 8.210 0.069 0.000 0.441 209 G N 5.000 113.811 108.800 0.019 0.000 2.698 209 G HA2 -0.370 3.646 3.960 0.009 0.000 0.233 209 G HA3 -0.370 3.593 3.960 0.005 0.000 0.233 209 G C -1.286 173.617 174.900 0.004 0.000 1.352 209 G CA 0.082 45.187 45.100 0.009 0.000 0.879 209 G HN 0.087 8.391 8.290 0.024 0.000 0.567 210 G N -1.772 107.026 108.800 -0.003 0.000 2.782 210 G HA2 0.214 4.166 3.960 -0.012 0.000 0.201 210 G HA3 0.214 4.165 3.960 -0.015 0.000 0.201 210 G C -1.204 173.676 174.900 -0.034 0.000 1.374 210 G CA -0.724 44.367 45.100 -0.015 0.000 1.039 210 G HN 0.107 8.397 8.290 -0.000 0.000 0.576 211 L N -1.110 120.081 121.223 -0.054 0.000 2.305 211 L HA -0.018 4.415 4.340 -0.107 -0.157 0.281 211 L C 0.601 177.405 176.870 -0.110 0.000 1.085 211 L CA 0.178 54.960 54.840 -0.096 0.000 0.813 211 L CB 0.843 42.836 42.059 -0.110 0.000 1.157 211 L HN 0.020 8.220 8.230 -0.049 0.000 0.436 212 I N 1.280 121.740 120.570 -0.183 0.000 2.716 212 I HA -0.109 4.006 4.170 -0.090 0.000 0.259 212 I C -0.202 175.728 176.117 -0.313 0.000 1.172 212 I CA 1.758 62.917 61.300 -0.236 0.000 1.478 212 I CB 0.883 38.628 38.000 -0.425 0.000 1.104 212 I HN 0.618 8.698 8.210 -0.217 0.000 0.439 213 D N -2.972 117.203 120.400 -0.375 0.000 2.752 213 D HA 0.103 4.601 4.640 -0.235 0.000 0.313 213 D C -2.116 174.027 176.300 -0.261 0.000 1.225 213 D CA -1.484 52.307 54.000 -0.348 0.000 0.976 213 D CB 1.888 42.334 40.800 -0.590 0.000 1.443 213 D HN -0.579 7.575 8.370 -0.360 0.000 0.515 214 S N -0.533 115.034 115.700 -0.222 0.000 2.647 214 S HA 0.625 5.105 4.470 -0.198 -0.128 0.300 214 S C -0.515 173.962 174.600 -0.205 0.000 1.129 214 S CA -1.127 56.959 58.200 -0.191 0.000 1.029 214 S CB 2.072 65.190 63.200 -0.138 0.000 1.007 214 S HN 0.062 8.245 8.310 -0.212 0.000 0.484 215 K N 2.873 123.128 120.400 -0.243 0.000 2.548 215 K HA 0.306 4.494 4.320 -0.220 0.000 0.282 215 K C -2.647 173.759 176.600 -0.324 0.000 1.006 215 K CA -1.534 54.598 56.287 -0.258 0.000 0.892 215 K CB 2.831 35.176 32.500 -0.258 0.000 1.499 215 K HN 0.498 8.592 8.250 -0.261 0.000 0.433 216 G N -2.595 106.005 108.800 -0.334 0.000 2.473 216 G HA2 0.649 4.627 3.960 -0.463 0.000 0.321 216 G HA3 0.649 4.411 3.960 -0.330 0.000 0.321 216 G C -1.999 172.647 174.900 -0.423 0.000 1.200 216 G CA -1.607 43.254 45.100 -0.399 0.000 0.963 216 G HN 0.096 8.204 8.290 -0.303 0.000 0.483 217 Y N -0.248 119.757 120.300 -0.492 0.000 2.304 217 Y HA 0.522 5.007 4.550 -0.426 -0.190 0.328 217 Y C -0.286 175.158 175.900 -0.760 0.000 1.123 217 Y CA -2.135 55.586 58.100 -0.633 0.000 1.218 217 Y CB 1.036 38.984 38.460 -0.854 0.000 1.207 217 Y HN -0.022 7.880 8.280 -0.631 0.000 0.495 218 G N -0.419 108.305 108.800 -0.126 0.000 2.642 218 G HA2 0.585 4.632 3.960 0.146 0.000 0.293 218 G HA3 0.585 4.664 3.960 0.199 0.000 0.293 218 G C -2.189 173.005 174.900 0.490 0.000 1.341 218 G CA -1.404 43.802 45.100 0.177 0.000 0.916 218 G HN -0.045 8.258 8.290 0.022 0.000 0.474 219 V N 1.014 121.212 119.914 0.473 0.000 2.508 219 V HA -0.124 4.306 4.120 0.269 -0.148 0.281 219 V C 0.021 176.202 176.094 0.146 0.000 1.041 219 V CA 0.605 63.072 62.300 0.278 0.000 1.016 219 V CB 0.543 32.467 31.823 0.169 0.000 0.984 219 V HN 0.012 8.475 8.190 0.455 0.000 0.478 220 G N 6.417 115.200 108.800 -0.029 0.000 2.395 220 G HA2 0.475 4.265 3.960 -0.556 0.000 0.283 220 G HA3 0.475 4.177 3.960 -0.430 0.000 0.283 220 G C -2.058 172.682 174.900 -0.267 0.000 1.178 220 G CA -1.164 43.730 45.100 -0.344 0.000 0.837 220 G HN 0.090 8.378 8.290 -0.004 0.000 0.518 221 T N -1.424 112.944 114.554 -0.309 0.000 2.883 221 T HA 0.706 4.910 4.350 -0.243 0.000 0.296 221 T C -2.514 172.022 174.700 -0.273 0.000 1.117 221 T CA -3.443 58.512 62.100 -0.241 0.000 1.006 221 T CB 1.821 70.606 68.868 -0.137 0.000 1.191 221 T HN 0.287 8.295 8.240 -0.387 0.000 0.508 222 P HA 0.020 4.294 4.420 -0.244 0.000 0.269 222 P C -0.789 176.414 177.300 -0.161 0.000 1.215 222 P CA 0.305 63.250 63.100 -0.259 0.000 0.780 222 P CB 0.543 31.955 31.700 -0.480 0.000 0.898 223 M N 4.278 123.811 119.600 -0.112 0.000 2.261 223 M HA -0.597 3.962 4.480 -0.089 -0.132 0.350 223 M C 1.248 177.533 176.300 -0.026 0.000 1.343 223 M CA 1.571 56.829 55.300 -0.071 0.000 1.003 223 M CB -0.280 32.286 32.600 -0.056 0.000 1.848 223 M HN 0.440 8.663 8.290 -0.111 0.000 0.456 224 G N 5.344 114.128 108.800 -0.027 0.000 2.199 224 G HA2 -0.464 3.489 3.960 -0.012 0.000 0.254 224 G HA3 -0.464 3.498 3.960 0.003 0.000 0.254 224 G C -0.744 174.147 174.900 -0.015 0.000 0.982 224 G CA -0.319 44.775 45.100 -0.011 0.000 0.632 224 G HN 0.579 9.187 8.290 -0.035 -0.340 0.529 225 S N 2.202 117.885 115.700 -0.029 0.000 2.549 225 S HA 0.212 4.675 4.470 -0.011 0.000 0.286 225 S C 0.362 174.946 174.600 -0.026 0.000 1.314 225 S CA -2.265 55.923 58.200 -0.019 0.000 1.062 225 S CB 0.914 64.104 63.200 -0.017 0.000 0.865 225 S HN -0.565 7.670 8.310 -0.046 0.047 0.498 226 P HA 0.018 4.379 4.420 -0.097 0.000 0.233 226 P C 0.252 177.436 177.300 -0.193 0.000 1.167 226 P CA 1.229 64.240 63.100 -0.148 0.000 0.770 226 P CB 0.081 31.647 31.700 -0.223 0.000 0.837 227 Y N -1.367 118.898 120.300 -0.058 0.000 2.439 227 Y HA -0.281 4.249 4.550 -0.033 0.000 0.292 227 Y C 1.702 177.582 175.900 -0.034 0.000 1.130 227 Y CA 3.068 61.133 58.100 -0.058 0.000 1.254 227 Y CB -0.602 37.781 38.460 -0.128 0.000 1.000 227 Y HN -0.394 7.865 8.280 0.022 0.035 0.554 228 R N -0.132 120.419 120.500 0.085 0.000 2.082 228 R HA -0.497 3.886 4.340 0.071 0.000 0.234 228 R C 1.415 177.755 176.300 0.066 0.000 1.136 228 R CA 4.578 60.715 56.100 0.062 0.000 0.935 228 R CB -0.329 29.988 30.300 0.028 0.000 0.842 228 R HN -0.820 7.451 8.270 0.056 0.033 0.430 229 D N -3.040 117.383 120.400 0.039 0.000 2.183 229 D HA -0.121 4.545 4.640 0.044 0.000 0.203 229 D C 2.162 178.489 176.300 0.045 0.000 0.969 229 D CA 2.936 56.957 54.000 0.036 0.000 0.842 229 D CB -0.725 40.084 40.800 0.015 0.000 0.957 229 D HN 0.149 8.531 8.370 0.021 0.000 0.484 230 K N 0.332 120.761 120.400 0.048 0.000 2.057 230 K HA -0.256 4.097 4.320 0.055 0.000 0.207 230 K C 2.537 179.203 176.600 0.111 0.000 1.049 230 K CA 3.370 59.700 56.287 0.072 0.000 0.931 230 K CB 0.034 32.578 32.500 0.073 0.000 0.714 230 K HN -0.919 7.352 8.250 0.034 0.000 0.440 231 I N -0.351 120.300 120.570 0.135 0.000 2.315 231 I HA -0.463 3.795 4.170 0.146 0.000 0.248 231 I C 1.533 177.715 176.117 0.108 0.000 1.117 231 I CA 3.849 65.231 61.300 0.136 0.000 1.404 231 I CB -0.170 37.914 38.000 0.140 0.000 1.071 231 I HN -0.010 8.284 8.210 0.140 0.000 0.419 232 T N 3.065 117.677 114.554 0.098 0.000 2.665 232 T HA -0.518 3.892 4.350 0.100 0.000 0.268 232 T C 1.538 176.275 174.700 0.062 0.000 1.035 232 T CA 5.560 67.711 62.100 0.084 0.000 1.151 232 T CB -0.064 68.846 68.868 0.070 0.000 0.862 232 T HN -0.297 8.000 8.240 0.095 0.000 0.438 233 L N -0.170 121.084 121.223 0.052 0.000 2.046 233 L HA -0.480 3.877 4.340 0.029 0.000 0.208 233 L C 1.666 178.546 176.870 0.017 0.000 1.077 233 L CA 3.356 58.216 54.840 0.034 0.000 0.747 233 L CB -0.604 41.475 42.059 0.033 0.000 0.896 233 L HN -0.532 7.731 8.230 0.056 0.000 0.432 234 A N -0.545 122.289 122.820 0.023 0.000 1.902 234 A HA -0.333 3.937 4.320 -0.082 0.000 0.217 234 A C 2.076 179.631 177.584 -0.048 0.000 1.181 234 A CA 3.091 55.108 52.037 -0.033 0.000 0.623 234 A CB -0.932 18.074 19.000 0.009 0.000 0.818 234 A HN -0.448 7.732 8.150 0.050 0.000 0.443 235 I N -1.440 119.142 120.570 0.021 0.000 2.226 235 I HA -0.613 3.578 4.170 0.034 0.000 0.245 235 I C 1.667 177.808 176.117 0.039 0.000 1.100 235 I CA 4.506 65.837 61.300 0.052 0.000 1.374 235 I CB 0.057 38.137 38.000 0.132 0.000 1.057 235 I HN -0.213 8.027 8.210 0.049 0.000 0.413 236 L N -1.053 120.190 121.223 0.034 0.000 2.083 236 L HA -0.369 4.154 4.340 0.034 -0.163 0.209 236 L C 2.406 179.278 176.870 0.002 0.000 1.083 236 L CA 3.054 57.909 54.840 0.024 0.000 0.752 236 L CB -0.691 41.381 42.059 0.022 0.000 0.899 236 L HN -0.141 8.112 8.230 0.037 0.000 0.433 237 K N -0.143 120.242 120.400 -0.025 0.000 2.062 237 K HA -0.264 4.041 4.320 -0.026 0.000 0.205 237 K C 2.440 179.005 176.600 -0.058 0.000 1.051 237 K CA 3.251 59.510 56.287 -0.048 0.000 0.941 237 K CB -0.057 32.392 32.500 -0.084 0.000 0.719 237 K HN -0.524 7.707 8.250 -0.032 0.000 0.440 238 L N -1.458 119.716 121.223 -0.082 0.000 2.131 238 L HA -0.298 4.001 4.340 -0.069 0.000 0.210 238 L C 2.130 179.007 176.870 0.011 0.000 1.092 238 L CA 2.787 57.595 54.840 -0.055 0.000 0.759 238 L CB -0.253 41.771 42.059 -0.057 0.000 0.903 238 L HN -0.034 8.137 8.230 -0.097 0.000 0.435 239 Q N -1.437 118.380 119.800 0.029 0.000 2.187 239 Q HA -0.309 4.075 4.340 0.074 0.000 0.199 239 Q C 2.386 178.407 176.000 0.035 0.000 0.957 239 Q CA 2.528 58.363 55.803 0.053 0.000 0.857 239 Q CB 0.041 28.816 28.738 0.062 0.000 0.929 239 Q HN 0.042 8.309 8.270 0.023 0.016 0.453 240 E N 0.053 120.265 120.200 0.019 0.000 2.072 240 E HA -0.264 4.093 4.350 0.012 0.000 0.191 240 E C 2.064 178.674 176.600 0.017 0.000 0.985 240 E CA 2.508 58.916 56.400 0.013 0.000 0.801 240 E CB -0.422 29.283 29.700 0.007 0.000 0.750 240 E HN -0.454 7.914 8.360 0.012 0.000 0.452 241 E N -1.958 118.253 120.200 0.019 0.000 2.478 241 E HA -0.190 4.175 4.350 0.025 0.000 0.198 241 E C 0.672 177.298 176.600 0.043 0.000 1.046 241 E CA 0.186 56.602 56.400 0.026 0.000 0.870 241 E CB 0.218 29.931 29.700 0.023 0.000 0.818 241 E HN -0.634 7.681 8.360 0.014 0.053 0.527 242 G N -2.210 106.623 108.800 0.054 0.000 2.143 242 G HA2 -0.458 3.602 3.960 0.096 0.000 0.249 242 G HA3 -0.458 3.554 3.960 0.087 0.000 0.249 242 G C 0.431 175.402 174.900 0.119 0.000 0.981 242 G CA 0.656 45.810 45.100 0.090 0.000 0.665 242 G HN 0.289 8.255 8.290 0.048 0.352 0.528 243 K N 0.399 120.850 120.400 0.085 0.000 2.155 243 K HA -0.175 4.194 4.320 0.081 0.000 0.203 243 K C 1.503 178.160 176.600 0.095 0.000 1.052 243 K CA 2.808 59.141 56.287 0.077 0.000 0.948 243 K CB 0.034 32.561 32.500 0.046 0.000 0.728 243 K HN -0.352 7.899 8.250 0.065 0.038 0.448 244 L N -2.523 118.774 121.223 0.123 0.000 2.109 244 L HA -0.306 4.121 4.340 0.144 0.000 0.207 244 L C 1.128 178.149 176.870 0.251 0.000 1.086 244 L CA 3.038 57.990 54.840 0.187 0.000 0.760 244 L CB -0.405 41.789 42.059 0.225 0.000 0.910 244 L HN -0.720 7.580 8.230 0.117 0.000 0.437 245 H N -0.697 118.447 119.070 0.124 0.000 2.395 245 H HA -0.282 4.336 4.556 0.104 0.000 0.299 245 H C 1.417 176.817 175.328 0.120 0.000 1.070 245 H CA 3.432 59.542 56.048 0.103 0.000 1.356 245 H CB 0.295 30.091 29.762 0.057 0.000 1.401 245 H HN -0.187 8.265 8.280 0.286 0.000 0.524 246 M N -0.961 118.660 119.600 0.034 0.000 2.159 246 M HA -0.392 4.020 4.480 -0.113 0.000 0.263 246 M C 2.297 178.620 176.300 0.038 0.000 1.063 246 M CA 4.088 59.379 55.300 -0.015 0.000 1.110 246 M CB 0.096 32.731 32.600 0.058 0.000 1.374 246 M HN -0.602 7.776 8.290 0.148 0.000 0.411 247 M N -0.991 118.688 119.600 0.131 0.000 2.175 247 M HA -0.459 4.161 4.480 0.234 0.000 0.264 247 M C 1.880 178.505 176.300 0.541 0.000 1.063 247 M CA 4.322 59.780 55.300 0.263 0.000 1.119 247 M CB -0.183 32.458 32.600 0.067 0.000 1.377 247 M HN -0.291 8.075 8.290 0.126 0.000 0.415 248 K N -0.211 120.461 120.400 0.454 0.000 2.026 248 K HA -0.439 4.226 4.320 0.574 0.000 0.208 248 K C 1.729 178.502 176.600 0.289 0.000 1.048 248 K CA 3.903 60.392 56.287 0.336 0.000 0.929 248 K CB -0.181 32.271 32.500 -0.079 0.000 0.713 248 K HN -0.267 8.190 8.250 0.344 0.000 0.439 249 E N -1.307 118.910 120.200 0.029 0.000 2.110 249 E HA -0.406 3.976 4.350 0.053 0.000 0.193 249 E C 1.790 178.444 176.600 0.090 0.000 0.988 249 E CA 3.058 59.463 56.400 0.009 0.000 0.804 249 E CB -0.056 29.550 29.700 -0.156 0.000 0.745 249 E HN -0.395 7.897 8.360 -0.113 0.000 0.458 250 K N -1.299 119.131 120.400 0.051 0.000 2.026 250 K HA -0.284 3.943 4.320 -0.154 0.000 0.208 250 K C 1.791 178.275 176.600 -0.194 0.000 1.048 250 K CA 2.580 58.782 56.287 -0.142 0.000 0.929 250 K CB -0.074 32.258 32.500 -0.280 0.000 0.713 250 K HN -0.500 7.792 8.250 0.070 0.000 0.439 251 W N -4.496 116.979 121.300 0.291 0.000 2.942 251 W HA -0.030 4.698 4.660 0.114 0.000 0.263 251 W C 1.453 178.090 176.519 0.195 0.000 1.296 251 W CA 0.766 58.236 57.345 0.208 0.000 1.504 251 W CB 0.863 30.443 29.460 0.199 0.000 1.096 251 W HN -0.744 7.757 8.180 0.535 0.000 0.639 252 W N -3.357 118.115 121.300 0.286 0.000 3.278 252 W HA 0.045 5.000 4.660 0.490 0.000 0.308 252 W C 0.741 177.352 176.519 0.154 0.000 1.253 252 W CA 1.269 58.789 57.345 0.292 0.000 1.759 252 W CB 0.762 30.345 29.460 0.205 0.000 1.093 252 W HN -0.139 8.515 8.180 0.790 0.000 0.648 257 c N 0.000 118.591 118.600 -0.015 0.000 2.653 257 c HA 0.000 4.564 4.570 -0.010 0.000 0.325 257 c CA 0.000 56.324 56.329 -0.009 0.000 1.963 257 c CB 0.000 42.503 42.510 -0.011 0.000 2.134 257 c HN 0.000 nan 8.230 nan 0.000 0.568